3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

• ChemBase ID: 308044
• Molecular Formular: C9H7FN2O2
• Molecular Mass: 194.1624832
• Monoisotopic Mass: 194.04915569
• SMILES: c1(c(n2c(n1)cccc2C)F)C(=O)O
• Canonical SMILES: OC(=O)c1nc2n(c1F)c(C)ccc2
• InChI: InChI=1S/C9H7FN2O2/c1-5-3-2-4-6-11-7(9(13)14)8(10)12(5)6/h2-4H,1H3,(H,13,14)
• InChIKey: GSSTWOCERRXBNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• IUPAC Traditional name: 3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• Synonyms: 3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

Database IDs

• MDL Number: MFCD08700329

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5062201
• LogD (pH = 7.4): -2.1411312
• Log P: 0.8397402
• Molar Refractivity: 48.1412 cm^3
• Polarizability: 17.192556 Å^3
• Polar Surface Area: 54.6 Å^2