3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

• ChemBase ID: 308178
• Molecular Formular: C9H7FN2O2
• Molecular Mass: 194.1624832
• Monoisotopic Mass: 194.04915569
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)O
• Canonical SMILES: Cc1ccn2c(c1)nc(c2F)C(=O)O
• InChI: InChI=1S/C9H7FN2O2/c1-5-2-3-12-6(4-5)11-7(8(12)10)9(13)14/h2-4H,1H3,(H,13,14)
• InChIKey: QGTMCQZLKZQARU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• IUPAC Traditional name: 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• Synonyms: 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

Database IDs

• CAS Number: 696632-07-2
• MDL Number: MFCD04061254

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19211507
• LogD (pH = 7.4): -1.8272018
• Log P: 1.1582701
• Molar Refractivity: 48.0327 cm^3
• Polarizability: 17.192558 Å^3
• Polar Surface Area: 54.6 Å^2