2-methyl-1H-imidazo[4,5-c]pyridine

• ChemBase ID: 302562
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: Cc1[nH]c2ccncc2n1
• Canonical SMILES: Cc1nc2c([nH]1)ccnc2
• InChI: InChI=1S/C7H7N3/c1-5-9-6-2-3-8-4-7(6)10-5/h2-4H,1H3,(H,9,10)
• InChIKey: JWQVOMJORQXNME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 2-methyl-1H-imidazo[4,5-c]pyridine
• Synonyms: 2-Methylimidazo[4,5-c]pyridine; 2-甲基咪唑[4,5-c]吡啶

Database IDs

• CAS Number: 63604-59-1
• EC Number: 000-000-0
• MDL Number: MFCD03426025
• Beilstein Number: 3234

CALCULATED PROPERTIES

• Acid pKa: 11.495681
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.1559678
• LogD (pH = 7.4): 0.1647521
• Log P: 0.16489631
• Molar Refractivity: 37.2523 cm^3
• Polarizability: 15.536109 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176-178°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%