6-bromo-8-nitroimidazo[1,2-a]pyridine

• ChemBase ID: 84588
• Molecular Formular: C7H4BrN3O2
• Molecular Mass: 242.02956
• Monoisotopic Mass: 240.94868838
• SMILES: [N+](=O)(c1cc(cn2c1ncc2)Br)[O-]
• Canonical SMILES: Brc1cn2ccnc2c(c1)[N+](=O)[O-]
• InChI: InChI=1S/C7H4BrN3O2/c8-5-3-6(11(12)13)7-9-1-2-10(7)4-5/h1-4H
• InChIKey: VJQWZCOWPZAAFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-nitroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-bromo-8-nitroimidazo[1,2-a]pyridine
• Synonyms: 6-Bromo-8-nitroimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD09836167
• PubChem SID: 162071704
• PubChem CID: 28875309

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4642458
• LogD (pH = 7.4): 1.4682351
• Log P: 1.4682863
• Molar Refractivity: 50.8839 cm^3
• Polarizability: 18.246614 Å^3
• Polar Surface Area: 63.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic