ethyl 2-oxo-2-{2-phenylimidazo[1,2-a]pyridin-3-yl}acetate

• ChemBase ID: 254391
• Molecular Formular: C17H14N2O3
• Molecular Mass: 294.30466
• Monoisotopic Mass: 294.10044232
• SMILES: c1(c(nc2n1cccc2)c1ccccc1)C(=O)C(=O)OCC
• Canonical SMILES: CCOC(=O)C(=O)c1c(nc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C17H14N2O3/c1-2-22-17(21)16(20)15-14(12-8-4-3-5-9-12)18-13-10-6-7-11-19(13)15/h3-11H,2H2,1H3
• InChIKey: PUNQZWZQISOPOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-oxo-2-{2-phenylimidazo[1,2-a]pyridin-3-yl}acetate
• IUPAC Traditional name: ethyl 2-oxo-2-{2-phenylimidazo[1,2-a]pyridin-3-yl}acetate
• Synonyms: ethyl oxo(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

Database IDs

• MDL Number: MFCD04613013
• PubChem SID: 164310301
• PubChem CID: 5115064

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.961196
• LogD (pH = 7.4): 2.9658437
• Log P: 2.9659033
• Molar Refractivity: 82.2935 cm^3
• Polarizability: 32.427837 Å^3
• Polar Surface Area: 60.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.496

Product Information

• Purity: 95%