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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Azepanes (2)
Azobenzenes (2)
Azolidines (2)
Azolines (2)
Benzazepines (1)
Benzodioxanes (4)
Benzodioxoles (10)
Benzothiadiazoles (4)
Benzoxadiazoles (2)
Benzoxazoles (5)
Dihydroisoquinolines (2)
Dioxaborolanes (29)
Dioxanes (2)
Epoxides (3)
Furans (4)
Heteroaromatic compounds (48)
Imidazopyridines (4)
Imidolactams (13)
Indoles and derivatives (13)
Isobenzofurans (5)
Lactams (4)
Lactones (13)
Oxacyclic compounds (5)
Oxanes (18)
Oxetanes (4)
Piperazines (21)
Piperidines (36)
Pyrans (1)
Pyrazines (2)
Pyridines and derivatives (190)
Pyrimidines And Derivatives (13)
Pyrrolidines (14)
Quinolines and derivatives (12)
Thianes (2)
Thiophenes (15)
Trioxanes (5)
Azoles (31)

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1
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2,4-Dimethyl-3-ethylpyrrole, 96%

CAS: 517-22-6 MDL Number: MFCD00005222 InChI Key: ZEBBLOXDLGIMEG-UHFFFAOYSA-N Synonym: 2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference PubChem CID: 10600 IUPAC Name: 3-ethyl-2,4-dimethyl-1H-pyrrole SMILES: CCC1=C(NC=C1C)C

EDGE
PubChem CID 10600
CAS 517-22-6
MDL Number MFCD00005222
SMILES CCC1=C(NC=C1C)C
Synonym 2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference
IUPAC Name 3-ethyl-2,4-dimethyl-1H-pyrrole
InChI Key ZEBBLOXDLGIMEG-UHFFFAOYSA-N
2

8-Hydroxyquinoline-2-carbonitrile, 98%

CAS: 6759-78-0 Molecular Formula: C10H6N2O Molecular Weight (g/mol): 170.17 MDL Number: MFCD00216717 InChI Key: KUQKKIBQVSFDHX-UHFFFAOYSA-N Synonym: 8-hydroxy-2-quinolinecarbonitrile,8-hydroxyquinaldonitrile,2-quinolinecarbonitrile,8-hydroxy,acmc-20alwc,2-cyano-8-hydroxyquinoline,8-hydroxy-2-quinolinecarbonitril,2-quinolinecarbonitrile, 8-hydroxy,8-hydroxy-2-quinolinecarbonitrile gc PubChem CID: 2734032 IUPAC Name: 8-hydroxyquinoline-2-carbonitrile SMILES: C1=CC2=C(C(=C1)O)N=C(C=C2)C#N

PubChem CID 2734032
CAS 6759-78-0
Molecular Weight (g/mol) 170.17
MDL Number MFCD00216717
SMILES C1=CC2=C(C(=C1)O)N=C(C=C2)C#N
Synonym 8-hydroxy-2-quinolinecarbonitrile,8-hydroxyquinaldonitrile,2-quinolinecarbonitrile,8-hydroxy,acmc-20alwc,2-cyano-8-hydroxyquinoline,8-hydroxy-2-quinolinecarbonitril,2-quinolinecarbonitrile, 8-hydroxy,8-hydroxy-2-quinolinecarbonitrile gc
IUPAC Name 8-hydroxyquinoline-2-carbonitrile
InChI Key KUQKKIBQVSFDHX-UHFFFAOYSA-N
Molecular Formula C10H6N2O
3
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Pinacolborane, 97%, stabilized

CAS: 25015-63-8 Molecular Formula: C6H13BO2 Molecular Weight (g/mol): 127.98 MDL Number: MFCD00674030 InChI Key: UCFSYHMCKWNKAH-UHFFFAOYSA-N Synonym: pinacolborane,4,4,5,5-tetramethyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl,4,4,5,5-tetramethyl-1,3,2-dioxa-borolane,pinb-te,pubchem12688,acmc-209ggf,pinacolborane 5g,ksc489k6t,ucfsyhmckwnkah-uhfffaoysa-n PubChem CID: 6364989 IUPAC Name: 4,4,5,5-tetramethyl-1,3,2$l^{2}-dioxaborolane SMILES: CC1(C)OBOC1(C)C

PubChem CID 6364989
CAS 25015-63-8
Molecular Weight (g/mol) 127.98
MDL Number MFCD00674030
SMILES CC1(C)OBOC1(C)C
Synonym pinacolborane,4,4,5,5-tetramethyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl,4,4,5,5-tetramethyl-1,3,2-dioxa-borolane,pinb-te,pubchem12688,acmc-209ggf,pinacolborane 5g,ksc489k6t,ucfsyhmckwnkah-uhfffaoysa-n
IUPAC Name 4,4,5,5-tetramethyl-1,3,2$l^{2}-dioxaborolane
InChI Key UCFSYHMCKWNKAH-UHFFFAOYSA-N
Molecular Formula C6H13BO2
4

2-Iodopyridine, 98%

CAS: 5029-67-4 Molecular Formula: C5H4IN Molecular Weight (g/mol): 205.00 MDL Number: MFCD00464928 InChI Key: CCZWSTFVHJPCEM-UHFFFAOYSA-N Synonym: 2-iodo-pyridine,pyridine, iodo,iodopyridine,2-iodo pyridine,2-iodopyridine,2-pyridyl iodide,2-pyridyl iodide;,pyridine, 2-iodo,pubchem4074,acmc-1avou PubChem CID: 221126 IUPAC Name: 2-iodopyridine SMILES: IC1=CC=CC=N1

PubChem CID 221126
CAS 5029-67-4
Molecular Weight (g/mol) 205.00
MDL Number MFCD00464928
SMILES IC1=CC=CC=N1
Synonym 2-iodo-pyridine,pyridine, iodo,iodopyridine,2-iodo pyridine,2-iodopyridine,2-pyridyl iodide,2-pyridyl iodide;,pyridine, 2-iodo,pubchem4074,acmc-1avou
IUPAC Name 2-iodopyridine
InChI Key CCZWSTFVHJPCEM-UHFFFAOYSA-N
Molecular Formula C5H4IN
5

3-Cyano-4-iodopyridine, 97%

CAS: 490039-72-0 Molecular Formula: C6H3IN2 Molecular Weight (g/mol): 230.01 InChI Key: CJKHIIQONPNAIP-UHFFFAOYSA-N Synonym: 3-cyano-4-iodopyridine,4-iodonicotinonitrile,3-pyridinecarbonitrile,4-iodo,acmc-20aibr,4-iodo-nicotinonitrile,4-iodo-3-pyridinecarbonitrile,4-iodanylpyridine-3-carbonitrile PubChem CID: 11138941 IUPAC Name: 4-iodopyridine-3-carbonitrile SMILES: C1=CN=CC(=C1I)C#N

PubChem CID 11138941
CAS 490039-72-0
Molecular Weight (g/mol) 230.01
SMILES C1=CN=CC(=C1I)C#N
Synonym 3-cyano-4-iodopyridine,4-iodonicotinonitrile,3-pyridinecarbonitrile,4-iodo,acmc-20aibr,4-iodo-nicotinonitrile,4-iodo-3-pyridinecarbonitrile,4-iodanylpyridine-3-carbonitrile
IUPAC Name 4-iodopyridine-3-carbonitrile
InChI Key CJKHIIQONPNAIP-UHFFFAOYSA-N
Molecular Formula C6H3IN2
6

2-Hydrazinopyridine, 98%

CAS: 4930-98-7 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006249 InChI Key: NWELCUKYUCBVKK-UHFFFAOYSA-N Synonym: 2-hydrazinylpyridine,2-hydrazinopyridine,2-pyridylhydrazine,2 1h-pyridinone, hydrazone,hydrazine, 2-pyridinyl,pyridine, 2-hydrazinyl,2-pyridylhydrazone,pyridin-2-yl-hydrazine,pyridine, 2-hydrazino,pyridin-2-yl hydrazine PubChem CID: 78645 IUPAC Name: pyridin-2-ylhydrazine SMILES: NNC1=CC=CC=N1

PubChem CID 78645
CAS 4930-98-7
Molecular Weight (g/mol) 109.13
MDL Number MFCD00006249
SMILES NNC1=CC=CC=N1
Synonym 2-hydrazinylpyridine,2-hydrazinopyridine,2-pyridylhydrazine,2 1h-pyridinone, hydrazone,hydrazine, 2-pyridinyl,pyridine, 2-hydrazinyl,2-pyridylhydrazone,pyridin-2-yl-hydrazine,pyridine, 2-hydrazino,pyridin-2-yl hydrazine
IUPAC Name pyridin-2-ylhydrazine
InChI Key NWELCUKYUCBVKK-UHFFFAOYSA-N
Molecular Formula C5H7N3
7

2-Bromo-5-iodopyridine, 97%

CAS: 73290-22-9 Molecular Formula: C5H3BrIN Molecular Weight (g/mol): 283.89 MDL Number: MFCD03095201 InChI Key: LLKRSJVPTKFSLS-UHFFFAOYSA-N Synonym: 2-bromo-5-iodo-pyridine,pyridine, 2-bromo-5-iodo,5-iodo-2-bromopyridine,pubchem5969,5-iodo-2-bromo-pyridine,acmc-1bb8d,ksc493q0p,2-bromo-5-iodopyridine PubChem CID: 4738271 IUPAC Name: 2-bromo-5-iodopyridine SMILES: BrC1=CC=C(I)C=N1

PubChem CID 4738271
CAS 73290-22-9
Molecular Weight (g/mol) 283.89
MDL Number MFCD03095201
SMILES BrC1=CC=C(I)C=N1
Synonym 2-bromo-5-iodo-pyridine,pyridine, 2-bromo-5-iodo,5-iodo-2-bromopyridine,pubchem5969,5-iodo-2-bromo-pyridine,acmc-1bb8d,ksc493q0p,2-bromo-5-iodopyridine
IUPAC Name 2-bromo-5-iodopyridine
InChI Key LLKRSJVPTKFSLS-UHFFFAOYSA-N
Molecular Formula C5H3BrIN
8

2,4,6-Trichloropyridine, 98%

CAS: 16063-69-7 Molecular Formula: C5H2Cl3N Molecular Weight (g/mol): 182.44 MDL Number: MFCD00971928 InChI Key: FJNNGKMAGDPVIU-UHFFFAOYSA-N Synonym: pyridine, 2,4,6-trichloro,2,4,6-trichloro-pyridine,pubchem11020,acmc-1bu24,ksc497g8t,2,4,6-tris chloranyl pyridine,2,4,6-trichloropyridine PubChem CID: 27665 IUPAC Name: 2,4,6-trichloropyridine SMILES: C1=C(C=C(N=C1Cl)Cl)Cl

PubChem CID 27665
CAS 16063-69-7
Molecular Weight (g/mol) 182.44
MDL Number MFCD00971928
SMILES C1=C(C=C(N=C1Cl)Cl)Cl
Synonym pyridine, 2,4,6-trichloro,2,4,6-trichloro-pyridine,pubchem11020,acmc-1bu24,ksc497g8t,2,4,6-tris chloranyl pyridine,2,4,6-trichloropyridine
IUPAC Name 2,4,6-trichloropyridine
InChI Key FJNNGKMAGDPVIU-UHFFFAOYSA-N
Molecular Formula C5H2Cl3N
9

4-Methyl-1,3-thiazole-5-sulfonyl chloride, 97%

CAS: 953070-51-4 Molecular Formula: C4H4ClNO2S2 Molecular Weight (g/mol): 197.66 InChI Key: AWTJUYXVSWZCIK-UHFFFAOYSA-N Synonym: 4-methylthiazole-5-sulfonyl chloride,5-thiazolesulfonyl chloride, 4-methyl,chloro 4-methyl 1,3-thiazol-5-yl sulfone PubChem CID: 18537519 IUPAC Name: 4-methyl-1,3-thiazole-5-sulfonyl chloride SMILES: CC1=C(SC=N1)S(=O)(=O)Cl

PubChem CID 18537519
CAS 953070-51-4
Molecular Weight (g/mol) 197.66
SMILES CC1=C(SC=N1)S(=O)(=O)Cl
Synonym 4-methylthiazole-5-sulfonyl chloride,5-thiazolesulfonyl chloride, 4-methyl,chloro 4-methyl 1,3-thiazol-5-yl sulfone
IUPAC Name 4-methyl-1,3-thiazole-5-sulfonyl chloride
InChI Key AWTJUYXVSWZCIK-UHFFFAOYSA-N
Molecular Formula C4H4ClNO2S2
11
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1,8-Cineole, 99%

CAS: 470-82-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167977 InChI Key: WEEGYLXZBRQIMU-UHFFFAOYSA-N Synonym: eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan PubChem CID: 2758 IUPAC Name: 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane SMILES: CC12CCC(CC1)C(C)(C)O2

PubChem CID 2758
CAS 470-82-6
Molecular Weight (g/mol) 154.25
MDL Number MFCD00167977
SMILES CC12CCC(CC1)C(C)(C)O2
Synonym eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan
IUPAC Name 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
InChI Key WEEGYLXZBRQIMU-UHFFFAOYSA-N
Molecular Formula C10H18O
12

Dimethyl 2,6-pyridinedicarboxylate, 99%

CAS: 5453-67-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00134493 InChI Key: SNQQJEJPJMXYTR-UHFFFAOYSA-N Synonym: dimethyl 2,6-pyridinedicarboxylate,2,6-dimethyl pyridine-2,6-dicarboxylate,pyridine-2,6-dicarboxylic acid dimethyl ester,2,6-pyridinedicarboxylic acid dimethyl ester,2,6-pyridinedicarboxylic acid, dimethyl ester,dimethyl dipicolinate,dimethyl pyridine-2,6-carboxylate,chembl72405,dimethylpyridine-2,6-dicarboxylate,dipicolinic acid dimethyl ester PubChem CID: 79549 IUPAC Name: dimethyl pyridine-2,6-dicarboxylate SMILES: COC(=O)C1=NC(=CC=C1)C(=O)OC

PubChem CID 79549
CAS 5453-67-8
Molecular Weight (g/mol) 195.17
MDL Number MFCD00134493
SMILES COC(=O)C1=NC(=CC=C1)C(=O)OC
Synonym dimethyl 2,6-pyridinedicarboxylate,2,6-dimethyl pyridine-2,6-dicarboxylate,pyridine-2,6-dicarboxylic acid dimethyl ester,2,6-pyridinedicarboxylic acid dimethyl ester,2,6-pyridinedicarboxylic acid, dimethyl ester,dimethyl dipicolinate,dimethyl pyridine-2,6-carboxylate,chembl72405,dimethylpyridine-2,6-dicarboxylate,dipicolinic acid dimethyl ester
IUPAC Name dimethyl pyridine-2,6-dicarboxylate
InChI Key SNQQJEJPJMXYTR-UHFFFAOYSA-N
Molecular Formula C9H9NO4
13

5,7-Dichloro-1,6-naphthyridine, 97%

CAS: 337958-60-8 Molecular Formula: C8H4Cl2N2 Molecular Weight (g/mol): 199.04 InChI Key: HNRPBMNTCYRAJD-UHFFFAOYSA-N Synonym: pubchem14653,5,7-dichloro-1,6-napthyridine,1,6-naphthyridine,5,7-dichloro,1,6-naphthyridine, 5,7-dichloro,5,7-bis chloranyl-1,6-naphthyridine PubChem CID: 12204233 IUPAC Name: 5,7-dichloro-1,6-naphthyridine SMILES: C1=CC2=C(N=C(C=C2N=C1)Cl)Cl

PubChem CID 12204233
CAS 337958-60-8
Molecular Weight (g/mol) 199.04
SMILES C1=CC2=C(N=C(C=C2N=C1)Cl)Cl
Synonym pubchem14653,5,7-dichloro-1,6-napthyridine,1,6-naphthyridine,5,7-dichloro,1,6-naphthyridine, 5,7-dichloro,5,7-bis chloranyl-1,6-naphthyridine
IUPAC Name 5,7-dichloro-1,6-naphthyridine
InChI Key HNRPBMNTCYRAJD-UHFFFAOYSA-N
Molecular Formula C8H4Cl2N2
14

2-Chlorobenzoxazole, 98%

CAS: 615-18-9 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.57 MDL Number: MFCD00005766 InChI Key: BBVQDWDBTWSGHQ-UHFFFAOYSA-N Synonym: 2-chlorobenzoxazole,benzoxazole, 2-chloro,2-chlorobenzo d oxazole,benzoxazole, chloro,chlorobenzoxazole,2-chlorobenzoxazol,2-chlorobenzooxazole,2-chloro benzoxazole,2-chloro-benzoxazole,2-chloro-benzooxazole PubChem CID: 11986 IUPAC Name: 2-chloro-1,3-benzoxazole SMILES: ClC1=NC2=CC=CC=C2O1

PubChem CID 11986
CAS 615-18-9
Molecular Weight (g/mol) 153.57
MDL Number MFCD00005766
SMILES ClC1=NC2=CC=CC=C2O1
Synonym 2-chlorobenzoxazole,benzoxazole, 2-chloro,2-chlorobenzo d oxazole,benzoxazole, chloro,chlorobenzoxazole,2-chlorobenzoxazol,2-chlorobenzooxazole,2-chloro benzoxazole,2-chloro-benzoxazole,2-chloro-benzooxazole
IUPAC Name 2-chloro-1,3-benzoxazole
InChI Key BBVQDWDBTWSGHQ-UHFFFAOYSA-N
Molecular Formula C7H4ClNO
15

Piperonyloyl chloride, 98%

CAS: 25054-53-9 Molecular Formula: C8H5ClO3 Molecular Weight (g/mol): 184.58 MDL Number: MFCD00016904 InChI Key: ZRSGZIMDIHBXIN-UHFFFAOYSA-N Synonym: piperonyloyl chloride,benzo d 1,3 dioxole-5-carbonyl chloride,2h-1,3-benzodioxole-5-carbonyl chloride,piperonoyl chloride,benzo 1,3 dioxole-5-carbonyl chloride,acmc-20ajvo,piperonylic acid chloride,3,4-methylenedioxybenzoylchloride,3,4-methylenedioxybenzoyl chloride PubChem CID: 2734749 IUPAC Name: 1,3-benzodioxole-5-carbonyl chloride SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)Cl

PubChem CID 2734749
CAS 25054-53-9
Molecular Weight (g/mol) 184.58
MDL Number MFCD00016904
SMILES C1OC2=C(O1)C=C(C=C2)C(=O)Cl
Synonym piperonyloyl chloride,benzo d 1,3 dioxole-5-carbonyl chloride,2h-1,3-benzodioxole-5-carbonyl chloride,piperonoyl chloride,benzo 1,3 dioxole-5-carbonyl chloride,acmc-20ajvo,piperonylic acid chloride,3,4-methylenedioxybenzoylchloride,3,4-methylenedioxybenzoyl chloride
IUPAC Name 1,3-benzodioxole-5-carbonyl chloride
InChI Key ZRSGZIMDIHBXIN-UHFFFAOYSA-N
Molecular Formula C8H5ClO3