2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetic acid

• ChemBase ID: 307922
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c12n(c(cn1)CC(=O)O)cccc2C
• Canonical SMILES: Cc1cccn2c1ncc2CC(=O)O
• InChI: InChI=1S/C10H10N2O2/c1-7-3-2-4-12-8(5-9(13)14)6-11-10(7)12/h2-4,6H,5H2,1H3,(H,13,14)
• InChIKey: UKRFQPYIYWEQKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetic acid
• IUPAC Traditional name: {8-methylimidazo[1,2-a]pyridin-3-yl}acetic acid
• Synonyms: (8-methylimidazo[1,2-a]pyridin-3-yl)acetic acid

Database IDs

• MDL Number: MFCD09864420

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4688358
• LogD (pH = 7.4): -1.2570171
• Log P: -0.43314826
• Molar Refractivity: 52.1627 cm^3
• Polarizability: 19.26212 Å^3
• Polar Surface Area: 54.6 Å^2