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

• ChemBase ID: 292750
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: COC(=O)c1cccc2cncn12
• Canonical SMILES: COC(=O)c1cccc2n1cnc2
• InChI: InChI=1S/C9H8N2O2/c1-13-9(12)8-4-2-3-7-5-10-6-11(7)8/h2-6H,1H3
• InChIKey: KSVWOAUWLZIVRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 141912-71-2
• PubChem SID: 180678281
• PubChem CID: 55264499

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.24492542
• LogD (pH = 7.4): 0.08017642
• Log P: 0.33488375
• Molar Refractivity: 48.2395 cm^3
• Polarizability: 18.388924 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%