3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid

C14H11N3O2 — CID 81137604

IUPAC3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESCc1ccc2[nH]c(-c3cccc(C(=O)O)c3)nc2n1
InChIInChI=1S/C14H11N3O2/c1-8-5-6-11-13(15-8)17-12(16-11)9-3-2-4-10(7-9)14(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyLEOYJMJCGFQGNX-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.63
Rot. Bonds2

About 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid

3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid (PubChem CID 81137604) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
PubChem CID81137604
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESCc1ccc2[nH]c(-c3cccc(C(=O)O)c3)nc2n1
InChIInChI=1S/C14H11N3O2/c1-8-5-6-11-13(15-8)17-12(16-11)9-3-2-4-10(7-9)14(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyLEOYJMJCGFQGNX-UHFFFAOYSA-N
XLogP2.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136738
2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137452
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821422
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
2-(3,5-dibromophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 107972981
2-(3-fluoro-4-methylphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137094
2-(4-chloro-3-methylphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113360589
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113340205
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 24904041

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The IUPAC name of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid (CID 81137604) is 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The canonical SMILES for 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid is Cc1ccc2[nH]c(-c3cccc(C(=O)O)c3)nc2n1.
What is the InChIKey of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The InChIKey is LEOYJMJCGFQGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-8-5-6-11-13(15-8)17-12(16-11)9-3-2-4-10(7-9)14(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 81137604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).