3-methylimidazo[1,5-a]pyridine

• ChemBase ID: 255947
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: n12c(ncc1cccc2)C
• Canonical SMILES: Cc1ncc2n1cccc2
• InChI: InChI=1S/C8H8N2/c1-7-9-6-8-4-2-3-5-10(7)8/h2-6H,1H3
• InChIKey: YXYQVTCKDHMPEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylimidazo[1,5-a]pyridine
• IUPAC Traditional name: 3-methylimidazo[1,5-a]pyridine
• Synonyms: 3-methylimidazo[1,5-a]pyridine

Database IDs

• CAS Number: 6558-63-0
• MDL Number: MFCD05269130
• PubChem SID: 164311857
• PubChem CID: 2969264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.5329876
• LogD (pH = 7.4): -0.21504925
• Log P: 0.5344704
• Molar Refractivity: 40.7774 cm^3
• Polarizability: 15.743264 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46 - 48°C
• Hydrophobicity(logP): 1.475

Product Information

• Purity: 95%; 95+%