1-methyl-1H-imidazo[4,5-b]pyridine

• ChemBase ID: 288535
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: Cn1cnc2ncccc12
• Canonical SMILES: Cn1cnc2c1cccn2
• InChI: InChI=1S/C7H7N3/c1-10-5-9-7-6(10)3-2-4-8-7/h2-5H,1H3
• InChIKey: KRHZROBTVNDYNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-imidazo[4,5-b]pyridine
• IUPAC Traditional name: 1-methylimidazo[4,5-b]pyridine
• Synonyms: 1-Methyl-1H-imidazo[4,5-b]pyridine

Database IDs

• CAS Number: 39998-52-2
• PubChem SID: 180674066
• PubChem CID: 12299350

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5876351
• LogD (pH = 7.4): 0.5904758
• Log P: 0.5905122
• Molar Refractivity: 39.2811 cm^3
• Polarizability: 14.854934 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%