7-bromo-2-methyl-3H-imidazo[4,5-c]pyridine

• ChemBase ID: 278552
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: c12c([nH]c(n1)C)cncc2Br
• Canonical SMILES: Cc1nc2c([nH]1)cncc2Br
• InChI: InChI=1S/C7H6BrN3/c1-4-10-6-3-9-2-5(8)7(6)11-4/h2-3H,1H3,(H,10,11)
• InChIKey: HKJYIFKUFHLIMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2-methyl-3H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 7-bromo-2-methyl-3H-imidazo[4,5-c]pyridine
• Synonyms: 7-bromo-2-methyl-3H-imidazo[4,5-c]pyridine

Database IDs

• MDL Number: MFCD09834586
• PubChem SID: 164334462
• PubChem CID: 17750136

CALCULATED PROPERTIES

• Acid pKa: 10.669745
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7110228
• LogD (pH = 7.4): 0.9297034
• Log P: 0.93364894
• Molar Refractivity: 44.8751 cm^3
• Polarizability: 18.30796 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.785

Product Information

• Purity: 95%