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

• ChemBase ID: 288013
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: O=C(c1cnc2ccccn12)OCC
• Canonical SMILES: CCOC(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)8-7-11-9-5-3-4-6-12(8)9/h3-7H,2H2,1H3
• InChIKey: YHUJITROXZCZNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 123531-52-2
• MDL Number: MFCD11656766
• PubChem SID: 180673544
• PubChem CID: 14358186

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0100287
• LogD (pH = 7.4): 1.0394447
• Log P: 1.0398355
• Molar Refractivity: 52.5878 cm^3
• Polarizability: 19.569971 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%