ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate

• ChemBase ID: 22543
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: c12ccccn1c(c(n2)c1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(nc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C16H14N2O2/c1-2-20-16(19)15-14(12-8-4-3-5-9-12)17-13-10-6-7-11-18(13)15/h3-11H,2H2,1H3
• InChIKey: XFGHRPOEPNBKEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
• Synonyms: Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate

Database IDs

• MDL Number: MFCD00139520
• PubChem SID: 160985850
• PubChem CID: 1473601

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0688558
• LogD (pH = 7.4): 3.0728598
• Log P: 3.0729113
• Molar Refractivity: 77.352 cm^3
• Polarizability: 30.53028 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false