7-bromo-1H-imidazo[4,5-c]pyridine

• ChemBase ID: 67847
• Molecular Formular: C6H4BrN3
• Molecular Mass: 198.02006
• Monoisotopic Mass: 196.95885914
• SMILES: c1c2c(c(cn1)Br)[nH]cn2
• Canonical SMILES: Brc1cncc2c1[nH]cn2
• InChI: InChI=1S/C6H4BrN3/c7-4-1-8-2-5-6(4)10-3-9-5/h1-3H,(H,9,10)
• InChIKey: UOGAFIAGSJONEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 7-bromo-1H-imidazo[4,5-c]pyridine
• Synonyms: 7-Bromo-1H-imidazo[4,5-c]pyridine; 7-Bromo-5-azabenzimidazole

Database IDs

• CAS Number: 90993-26-3
• MDL Number: MFCD09834585
• PubChem SID: 162033582
• PubChem CID: 14089255

CALCULATED PROPERTIES

• Acid pKa: 10.201011
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8097946
• LogD (pH = 7.4): 0.8099581
• Log P: 0.8105842
• Molar Refractivity: 40.4344 cm^3
• Polarizability: 16.563013 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.556

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%