2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid

C14H11N3O3 — CID 67942842

IUPAC2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid
SMILESCOc1cccc2[nH]c(-c3ncccc3C(=O)O)nc12
InChIInChI=1S/C14H11N3O3/c1-20-10-6-2-5-9-12(10)17-13(16-9)11-8(14(18)19)4-3-7-15-11/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyLXQOWWGSRCINGQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.33
Rot. Bonds3

About 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid

2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 67942842) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID67942842
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid
SMILESCOc1cccc2[nH]c(-c3ncccc3C(=O)O)nc12
InChIInChI=1S/C14H11N3O3/c1-20-10-6-2-5-9-12(10)17-13(16-9)11-8(14(18)19)4-3-7-15-11/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyLXQOWWGSRCINGQ-UHFFFAOYSA-N
XLogP2.33
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 107519628
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63017459
2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 66984886
2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
CID 19700750
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602
1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
CID 18316612
4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid
CID 142280013
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
CID 63032968
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid (CID 67942842) is 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid is COc1cccc2[nH]c(-c3ncccc3C(=O)O)nc12.
What is the InChIKey of 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is LXQOWWGSRCINGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-10-6-2-5-9-12(10)17-13(16-9)11-8(14(18)19)4-3-7-15-11/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid?
2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 67942842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).