ethyl imidazo[1,5-a]pyridine-7-carboxylate

• ChemBase ID: 288978
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: O=C(c1cc2cncn2cc1)OCC
• Canonical SMILES: CCOC(=O)c1ccn2c(c1)cnc2
• InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)8-3-4-12-7-11-6-9(12)5-8/h3-7H,2H2,1H3
• InChIKey: GGSSPIUIIVDMAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl imidazo[1,5-a]pyridine-7-carboxylate
• IUPAC Traditional name: ethyl imidazo[1,5-a]pyridine-7-carboxylate
• Synonyms: Ethyl imidazo[1,5-a]pyridine-7-carboxylate

Database IDs

• CAS Number: 518979-75-4
• PubChem SID: 180674509
• PubChem CID: 12031959

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.19369967
• LogD (pH = 7.4): 0.5395836
• Log P: 0.7716906
• Molar Refractivity: 53.1106 cm^3
• Polarizability: 20.224125 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%