2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C14H11N3O2 — CID 82821422

IUPAC2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1cccc(-c2nc3ncc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C14H11N3O2/c1-8-3-2-4-9(5-8)12-16-11-6-10(14(18)19)7-15-13(11)17-12/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyYINLUYMLESIDIH-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82821422) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82821422
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1cccc(-c2nc3ncc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C14H11N3O2/c1-8-3-2-4-9(5-8)12-16-11-6-10(14(18)19)7-15-13(11)17-12/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyYINLUYMLESIDIH-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-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82795992
2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821514
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821137
2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820668
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 107989451
2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796325
2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820942
6-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine
CID 79015212
2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821320
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82821422) is 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is Cc1cccc(-c2nc3ncc(C(=O)O)cc3[nH]2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is YINLUYMLESIDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-8-3-2-4-9(5-8)12-16-11-6-10(14(18)19)7-15-13(11)17-12/h2-7H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic 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 2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82821422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).