6-bromo-3-nitroimidazo[1,2-a]pyridine

• ChemBase ID: 286954
• Molecular Formular: C7H4BrN3O2
• Molecular Mass: 242.02956
• Monoisotopic Mass: 240.94868838
• SMILES: [O-][N+](=O)c1cnc2ccc(Br)cn12
• Canonical SMILES: Brc1ccc2n(c1)c(cn2)[N+](=O)[O-]
• InChI: InChI=1S/C7H4BrN3O2/c8-5-1-2-6-9-3-7(11(12)13)10(6)4-5/h1-4H
• InChIKey: UNZUDRAJUWZDNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-nitroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-bromo-3-nitroimidazo[1,2-a]pyridine
• Synonyms: 6-Bromo-3-nitroimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 64064-71-7
• MDL Number: MFCD09864963
• PubChem SID: 180672485
• PubChem CID: 28875888

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.557501
• LogD (pH = 7.4): 1.5575763
• Log P: 1.5575773
• Molar Refractivity: 49.133 cm^3
• Polarizability: 18.24851 Å^3
• Polar Surface Area: 60.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%