methyl imidazo[1,5-a]pyridine-8-carboxylate

• ChemBase ID: 292754
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: COC(=O)c1cccn2cncc12
• Canonical SMILES: COC(=O)c1cccn2c1cnc2
• InChI: InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-4-11-6-10-5-8(7)11/h2-6H,1H3
• InChIKey: AHAGTFJLGJGKNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl imidazo[1,5-a]pyridine-8-carboxylate
• IUPAC Traditional name: methyl imidazo[1,5-a]pyridine-8-carboxylate
• Synonyms: Methyl imidazo[1,5-a]pyridine-8-carboxylate

Database IDs

• CAS Number: 151509-02-3
• PubChem SID: 180678285
• PubChem CID: 10374945

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.1472638
• LogD (pH = 7.4): 0.28527394
• Log P: 0.41488263
• Molar Refractivity: 48.362 cm^3
• Polarizability: 18.38594 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%