2-methyl-3H-imidazo[4,5-b]pyridine

• ChemBase ID: 266007
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: [nH]1c2c(nc1C)cccn2
• Canonical SMILES: Cc1nc2c([nH]1)nccc2
• InChI: InChI=1S/C7H7N3/c1-5-9-6-3-2-4-8-7(6)10-5/h2-4H,1H3,(H,8,9,10)
• InChIKey: FZESPVBONPPRAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3H-imidazo[4,5-b]pyridine; 2-methyl-1H-imidazo[4,5-b]pyridine
• IUPAC Traditional name: 2-methyl-3H-imidazo[4,5-b]pyridine; 2-methyl-1H-imidazo[4,5-b]pyridine
• Synonyms: 2-methyl-3H-imidazo[4,5-b]pyridine; 2-Methyl-1H-imidazo[4,5-b]pyridine

Database IDs

• CAS Number: 68175-07-5
• MDL Number: MFCD20502678; MFCD03673741
• PubChem SID: 164321917
• PubChem CID: 3491069

CALCULATED PROPERTIES

• Acid pKa: 11.137398
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.53016734
• LogD (pH = 7.4): 0.532328
• Log P: 0.53235835
• Molar Refractivity: 37.2049 cm^3
• Polarizability: 14.851753 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.931

Product Information

• Purity: 95%; 95+%