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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).
Azolines (5)
Benzimidazoles (8)
Benzopyrazoles (1)
Diazanaphthalenes (1)
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Pyridines and derivatives (229)
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1 – 15 of 207 results
1

(2-Chloro-4-pyridinyl)methanol, 97%, Thermo Scientific™

CAS: 100704-10-7 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD06858767 InChI Key: UDDVPFLXGOBESH-UHFFFAOYSA-N Synonym: 2-chloropyridin-4-yl methanol,2-chloropyridine-4-methanol,2-chloro-4-hydroxymethyl pyridine,2-chloro-pyridine-4-yl-methanol,2-chloro-pyridin-4-yl-methanol,2-chloro-4-pyridinyl methanol,4-pyridinemethanol, 2-chloro,2-chloro-4-hydroxymethylpyridine,2-chloro-4-pyridinemethanol,2-chloro-4-pyridyl methan-1-ol PubChem CID: 7062237 IUPAC Name: (2-chloropyridin-4-yl)methanol SMILES: C1=CN=C(C=C1CO)Cl

PubChem CID 7062237
CAS 100704-10-7
Molecular Weight (g/mol) 143.57
MDL Number MFCD06858767
SMILES C1=CN=C(C=C1CO)Cl
Synonym 2-chloropyridin-4-yl methanol,2-chloropyridine-4-methanol,2-chloro-4-hydroxymethyl pyridine,2-chloro-pyridine-4-yl-methanol,2-chloro-pyridin-4-yl-methanol,2-chloro-4-pyridinyl methanol,4-pyridinemethanol, 2-chloro,2-chloro-4-hydroxymethylpyridine,2-chloro-4-pyridinemethanol,2-chloro-4-pyridyl methan-1-ol
IUPAC Name (2-chloropyridin-4-yl)methanol
InChI Key UDDVPFLXGOBESH-UHFFFAOYSA-N
Molecular Formula C6H6ClNO
2

(6-Amino-3-pyridinyl)methanol, 97%, Thermo Scientific™

CAS: 113293-71-3 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 InChI Key: TXPRFSOGPYITOT-UHFFFAOYSA-N PubChem CID: 2794829 IUPAC Name: (6-aminopyridin-3-yl)methanol SMILES: C1=CC(=NC=C1CO)N

PubChem CID 2794829
CAS 113293-71-3
Molecular Weight (g/mol) 124.143
SMILES C1=CC(=NC=C1CO)N
IUPAC Name (6-aminopyridin-3-yl)methanol
InChI Key TXPRFSOGPYITOT-UHFFFAOYSA-N
Molecular Formula C6H8N2O
4

3-(6-Methyl-3-pyridinyl)propanoic Acid, TRC

CAS: 118420-23-8 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 IUPAC Name: 3-(6-methylpyridin-3-yl)propanoic acid SMILES: Cc1ccc(CCC(=O)O)cn1

CAS 118420-23-8
Molecular Weight (g/mol) 165.19
SMILES Cc1ccc(CCC(=O)O)cn1
IUPAC Name 3-(6-methylpyridin-3-yl)propanoic acid
Molecular Formula C9H11NO2
5

N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine, TRC

CAS: 796738-71-1 Molecular Formula: C16 H13 N5 O2 Molecular Weight (g/mol): 307.31 Synonym: 2-Pyrimidinamine, N-(2-methyl-4-nitrophenyl)-4-(3-pyridinyl)-,N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine,N-(2-Methyl-4-nitrophenyl)-4-(3-pyridyl)-2-pyrimidineamine IUPAC Name: N-(2-methyl-4-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine SMILES: Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)[N+](=O)[O-]

CAS 796738-71-1
Molecular Weight (g/mol) 307.31
SMILES Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)[N+](=O)[O-]
Synonym 2-Pyrimidinamine, N-(2-methyl-4-nitrophenyl)-4-(3-pyridinyl)-,N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine,N-(2-Methyl-4-nitrophenyl)-4-(3-pyridyl)-2-pyrimidineamine
IUPAC Name N-(2-methyl-4-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
Molecular Formula C16 H13 N5 O2
6

N-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl Lansoprazole, TRC

CAS: 1083100-26-8 Molecular Formula: C25H22F6N4O3S Molecular Weight (g/mol): 572.52 Synonym: 1-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole,Lansoprazole Impurity IUPAC Name: 1-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C

CAS 1083100-26-8
Molecular Weight (g/mol) 572.52
SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C
Synonym 1-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole,Lansoprazole Impurity
IUPAC Name 1-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole
Molecular Formula C25H22F6N4O3S
7

[[4-[(3-Methylphenyl)amino]-3-pyridinyl]sulfonyl]carbamic Acid Ethyl Ester, TRC

CAS: 72810-57-2 Molecular Formula: C15 H17 N3 O4 S Molecular Weight (g/mol): 335.38 Synonym: Ethyl [[4-[(3-Methylphenyl)amino]pyridin-3-yl]sulfonyl]carbamate,Torasemide, Anhydrous Imp. E (EP) IUPAC Name: ethyl N-[4-(3-methylanilino)pyridin-3-yl]sulfonylcarbamate SMILES: CCOC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2

CAS 72810-57-2
Molecular Weight (g/mol) 335.38
SMILES CCOC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2
Synonym Ethyl [[4-[(3-Methylphenyl)amino]pyridin-3-yl]sulfonyl]carbamate,Torasemide, Anhydrous Imp. E (EP)
IUPAC Name ethyl N-[4-(3-methylanilino)pyridin-3-yl]sulfonylcarbamate
Molecular Formula C15 H17 N3 O4 S
8

3-(Phenylmethyl)-2-[(1E)-2-(3-pyridinyl)ethenyl]-4(3H)-quinazolinone, TRC

CAS: 1290541-46-6 Molecular Formula: C12 H17 N3 O6 Molecular Weight (g/mol): 299.28 Synonym: BO 2 IUPAC Name: ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N

CAS 1290541-46-6
Molecular Weight (g/mol) 299.28
SMILES CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
Synonym BO 2
IUPAC Name ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylate
Molecular Formula C12 H17 N3 O6
9

6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole, TRC

CAS: 721924-06-7 Molecular Formula: C17H17F2N3O4S Molecular Weight (g/mol): 397.4 Synonym: Pantoprazole EP Impurity SMILES: COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC

CAS 721924-06-7
Molecular Weight (g/mol) 397.4
SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC
Synonym Pantoprazole EP Impurity
Molecular Formula C17H17F2N3O4S
12

2-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethyl-4(3H)-quinazolinone, TRC

CAS: 438450-43-2 Molecular Formula: C18H12BrCl2N5O Molecular Weight (g/mol): 465.13 Synonym: Chlorantraniliprole Metabolite IN-EQW78,2-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethyl-4(3H)-quinazolinone (ACI),4(3H)-Quinazolinone, 2-[3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethyl- (9CI, ACI) IUPAC Name: 2-[5-bromo-2-(3-chloropyridin-2-yl)pyrazol-3-yl]-6-chloro-3,8-dimethylquinazolin-4-one SMILES: CN1C(=O)c2cc(Cl)cc(C)c2N=C1c3cc(Br)nn3c4ncccc4Cl

CAS 438450-43-2
Molecular Weight (g/mol) 465.13
SMILES CN1C(=O)c2cc(Cl)cc(C)c2N=C1c3cc(Br)nn3c4ncccc4Cl
Synonym Chlorantraniliprole Metabolite IN-EQW78,2-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethyl-4(3H)-quinazolinone (ACI),4(3H)-Quinazolinone, 2-[3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethyl- (9CI, ACI)
IUPAC Name 2-[5-bromo-2-(3-chloropyridin-2-yl)pyrazol-3-yl]-6-chloro-3,8-dimethylquinazolin-4-one
Molecular Formula C18H12BrCl2N5O
14

2,4,6-Tri(2-pyridyl)-1,3,5-triazine, 98%

CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine PubChem CID: 77258 SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1

EDGE
PubChem CID 77258
CAS 3682-35-7
Molecular Weight (g/mol) 312.34
MDL Number MFCD00006045
SMILES C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
Synonym 2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine
InChI Key KMVWNDHKTPHDMT-UHFFFAOYSA-N
Molecular Formula C18H12N6
15

5-Pyridin-2-ylthiophene-2-carbaldehyde, Thermo Scientific™

CAS: 132706-12-8 Molecular Formula: C10H7NOS Molecular Weight (g/mol): 189.232 InChI Key: VAGVVFZWHTULBM-UHFFFAOYSA-N Synonym: 5-pyridin-2-yl thiophene-2-carbaldehyde,5-2-pyridyl thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde,5-2-pyridinyl,5-pyridin-2-yl thiophene-2-carboxaldehyde,5-2-pyridinyl-2-thiophenecarboxaldehyde,pubchem16361,acmc-1c1gm,5-2-pyridinyl-2-thiophenecarbaldehyde,5-2-pyridinyl-2-thiophenecarbaldehyde #,thiophene-2-carboxaldehyde, 5-2-pyridyl PubChem CID: 605127 IUPAC Name: 5-pyridin-2-ylthiophene-2-carbaldehyde SMILES: C1=CC=NC(=C1)C2=CC=C(S2)C=O

PubChem CID 605127
CAS 132706-12-8
Molecular Weight (g/mol) 189.232
SMILES C1=CC=NC(=C1)C2=CC=C(S2)C=O
Synonym 5-pyridin-2-yl thiophene-2-carbaldehyde,5-2-pyridyl thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde,5-2-pyridinyl,5-pyridin-2-yl thiophene-2-carboxaldehyde,5-2-pyridinyl-2-thiophenecarboxaldehyde,pubchem16361,acmc-1c1gm,5-2-pyridinyl-2-thiophenecarbaldehyde,5-2-pyridinyl-2-thiophenecarbaldehyde #,thiophene-2-carboxaldehyde, 5-2-pyridyl
IUPAC Name 5-pyridin-2-ylthiophene-2-carbaldehyde
InChI Key VAGVVFZWHTULBM-UHFFFAOYSA-N
Molecular Formula C10H7NOS