2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid

• ChemBase ID: 114749
• Molecular Formular: C15H12N2O3
• Molecular Mass: 268.26738
• Monoisotopic Mass: 268.08479225
• SMILES: c12nc(cn2cccc1C(=O)O)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1cn2c(n1)c(ccc2)C(=O)O
• InChI: InChI=1S/C15H12N2O3/c1-20-11-5-2-4-10(8-11)13-9-17-7-3-6-12(15(18)19)14(17)16-13/h2-9H,1H3,(H,18,19)
• InChIKey: HKCXFQCOAAJYPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
• IUPAC Traditional name: 2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
• Synonyms: 2-(3-Methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid

Database IDs

• MDL Number: MFCD09864107
• PubChem SID: 162100247
• PubChem CID: 42281526

CALCULATED PROPERTIES

• Acid pKa: 3.1551235
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.24953814
• LogD (pH = 7.4): -1.0881367
• Log P: 1.1408036
• Molar Refractivity: 74.42 cm^3
• Polarizability: 29.08214 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.09

Product Information

• Purity: 95+%