ethyl imidazo[1,5-a]pyridine-5-carboxylate

• ChemBase ID: 292751
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: CCOC(=O)c1cccc2cncn12
• Canonical SMILES: CCOC(=O)c1cccc2n1cnc2
• InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)9-5-3-4-8-6-11-7-12(8)9/h3-7H,2H2,1H3
• InChIKey: ZHDWLOWRAYJJMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl imidazo[1,5-a]pyridine-5-carboxylate
• IUPAC Traditional name: ethyl imidazo[1,5-a]pyridine-5-carboxylate
• Synonyms: Ethyl imidazo[1,5-a]pyridine-5-carboxylate

Database IDs

• CAS Number: 76292-67-6
• PubChem SID: 180678282
• PubChem CID: 12624795

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.11189098
• LogD (pH = 7.4): 0.43709943
• Log P: 0.6916917
• Molar Refractivity: 52.9881 cm^3
• Polarizability: 20.227726 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%