3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid

C14H11N3O3 — CID 82514468

IUPAC3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-n1cnc2cccnc21
InChIInChI=1S/C14H11N3O3/c1-20-12-5-4-9(14(18)19)7-11(12)17-8-16-10-3-2-6-15-13(10)17/h2-8H,1H3,(H,18,19)
InChIKeyCVGQIRONYWVKBI-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.13
Rot. Bonds3

About 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid

3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid (PubChem CID 82514468) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid
PubChem CID82514468
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-n1cnc2cccnc21
InChIInChI=1S/C14H11N3O3/c1-20-12-5-4-9(14(18)19)7-11(12)17-8-16-10-3-2-6-15-13(10)17/h2-8H,1H3,(H,18,19)
InChIKeyCVGQIRONYWVKBI-UHFFFAOYSA-N
XLogP2.13
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid
CID 82513914
3-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 117166289
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277387
4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid
CID 82513143
N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 20916026
3-(4-methoxy-1H-pyrrol-3-yl)benzimidazole-5-carboxylic acid
CID 176893020
3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid
CID 115932710
3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid
CID 71308083
3-imidazo[4,5-b]pyridin-3-yl-4-methyl-N-(3-phenylpropyl)benzamide
CID 46277287
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
3-methoxy-4-(2-pyridin-2-ylpropan-2-yloxy)benzoic acid
CID 117053458

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid?
The IUPAC name of 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid (CID 82514468) is 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid.
What is the SMILES notation for 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid?
The canonical SMILES for 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1-n1cnc2cccnc21.
What is the InChIKey of 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid?
The InChIKey is CVGQIRONYWVKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-12-5-4-9(14(18)19)7-11(12)17-8-16-10-3-2-6-15-13(10)17/h2-8H,1H3,(H,18,19).
What are the key properties of 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid?
3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid is sourced from PubChem (CID 82514468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).