1-methylimidazo[1,5-a]pyridine

• ChemBase ID: 73458
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: n1cn2ccccc2c1C
• Canonical SMILES: Cc1ncn2c1cccc2
• InChI: InChI=1S/C8H8N2/c1-7-8-4-2-3-5-10(8)6-9-7/h2-6H,1H3
• InChIKey: FSEDFOMIQFYQCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6558-62-9
• MDL Number: MFCD06245386
• PubChem SID: 162038378
• PubChem CID: 2771687

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.48385453
• LogD (pH = 7.4): 0.15364274
• Log P: 0.5427758
• Molar Refractivity: 40.9282 cm^3
• Polarizability: 15.742982 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64-65°C
• Boiling Point: 70°C/3mm

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon