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

• ChemBase ID: 294557
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: Cc1nc2c([nH]cn2)cc1
• Canonical SMILES: Cc1ccc2c(n1)nc[nH]2
• InChI: InChI=1S/C7H7N3/c1-5-2-3-6-7(10-5)9-4-8-6/h2-4H,1H3,(H,8,9,10)
• InChIKey: IANINCNCSTYFSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 27582-24-7
• MDL Number: MFCD07440139
• PubChem SID: 180680088
• PubChem CID: 7147160

CALCULATED PROPERTIES

• Acid pKa: 11.065126
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.49421614
• LogD (pH = 7.4): 0.49807146
• Log P: 0.4982063
• Molar Refractivity: 38.9759 cm^3
• Polarizability: 14.85667 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%