methyl imidazo[1,5-a]pyridine-6-carboxylate

• ChemBase ID: 292752
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: COC(=O)c1cn2cncc2cc1
• Canonical SMILES: COC(=O)c1ccc2n(c1)cnc2
• InChI: InChI=1S/C9H8N2O2/c1-13-9(12)7-2-3-8-4-10-6-11(8)5-7/h2-6H,1H3
• InChIKey: MUBQQJSSJDOSKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl imidazo[1,5-a]pyridine-6-carboxylate
• IUPAC Traditional name: methyl imidazo[1,5-a]pyridine-6-carboxylate
• Synonyms: Methyl imidazo[1,5-a]pyridine-6-carboxylate

Database IDs

• CAS Number: 139183-89-4
• PubChem SID: 180678283
• PubChem CID: 10511475

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.16906448
• LogD (pH = 7.4): 0.0877717
• Log P: 0.41488263
• Molar Refractivity: 48.362 cm^3
• Polarizability: 18.383821 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%