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

C14H11N3O2 — CID 82821514

IUPAC2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1ccccc1-c1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C14H11N3O2/c1-8-4-2-3-5-10(8)12-16-11-6-9(14(18)19)7-15-13(11)17-12/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyQSWGOUYAYFEBBO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.63
Rot. Bonds2

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

2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82821514) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82821514
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1ccccc1-c1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C14H11N3O2/c1-8-4-2-3-5-10(8)12-16-11-6-9(14(18)19)7-15-13(11)17-12/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyQSWGOUYAYFEBBO-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82821514) is 2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is Cc1ccccc1-c1nc2ncc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is QSWGOUYAYFEBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-8-4-2-3-5-10(8)12-16-11-6-9(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-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(2-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-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82821514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).