3-({6-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzoic acid

• ChemBase ID: 255848
• Molecular Formular: C16H14N2O3
• Molecular Mass: 282.29396
• Monoisotopic Mass: 282.10044232
• SMILES: n12c(nc(c1)COc1cc(C(=O)O)ccc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)COc1cccc(c1)C(=O)O
• InChI: InChI=1S/C16H14N2O3/c1-11-5-6-15-17-13(9-18(15)8-11)10-21-14-4-2-3-12(7-14)16(19)20/h2-9H,10H2,1H3,(H,19,20)
• InChIKey: IKVWRNDUJLGJGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({6-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzoic acid
• IUPAC Traditional name: 3-({6-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzoic acid
• Synonyms: 3-({6-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzoic acid

Database IDs

• MDL Number: MFCD09040620
• PubChem SID: 164311758
• PubChem CID: 16228685

CALCULATED PROPERTIES

• Acid pKa: 3.8337414
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.84215975
• LogD (pH = 7.4): -0.35649136
• Log P: 0.92655694
• Molar Refractivity: 78.7874 cm^3
• Polarizability: 29.487112 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.355

Product Information

• Purity: 95%