2-methylimidazo[1,2-a]pyridine-8-carboxylic acid

• ChemBase ID: 310516
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: c12c(C(=O)O)cccn1cc(n2)C
• Canonical SMILES: Cc1cn2c(n1)c(ccc2)C(=O)O
• InChI: InChI=1S/C9H8N2O2/c1-6-5-11-4-2-3-7(9(12)13)8(11)10-6/h2-5H,1H3,(H,12,13)
• InChIKey: ADVZTFKLJNMYJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylimidazo[1,2-a]pyridine-8-carboxylic acid
• IUPAC Traditional name: 2-methylimidazo[1,2-a]pyridine-8-carboxylic acid
• Synonyms: 2-methylimidazo[1,2-a]pyridine-8-carboxylic acid

Database IDs

• CAS Number: 133427-10-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.240901
• LogD (pH = 7.4): -2.088283
• Log P: -1.200273
• Molar Refractivity: 47.7841 cm^3
• Polarizability: 17.41542 Å^3
• Polar Surface Area: 54.6 Å^2