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

• ChemBase ID: 253262
• Molecular Formular: C16H14N2O3
• Molecular Mass: 282.29396
• Monoisotopic Mass: 282.10044232
• SMILES: n12c(nc(c1)COc1c(C(=O)O)cccc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)COc1ccccc1C(=O)O
• InChI: InChI=1S/C16H14N2O3/c1-11-6-7-15-17-12(9-18(15)8-11)10-21-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3,(H,19,20)
• InChIKey: AYMJFBZIFXWYBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11505357
• PubChem SID: 164309172
• PubChem CID: 39869374

CALCULATED PROPERTIES

• Acid pKa: 3.7052855
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.80753785
• LogD (pH = 7.4): -0.38264722
• Log P: 0.89240044
• Molar Refractivity: 78.7874 cm^3
• Polarizability: 29.489325 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 2.925

Product Information

• Purity: 95%