7-chloro-3-nitroimidazo[1,2-a]pyridine

• ChemBase ID: 290461
• Molecular Formular: C7H4ClN3O2
• Molecular Mass: 197.57856
• Monoisotopic Mass: 196.99920406
• SMILES: O=[N+](c1cnc2cc(Cl)ccn12)[O-]
• Canonical SMILES: Clc1ccn2c(c1)ncc2[N+](=O)[O-]
• InChI: InChI=1S/C7H4ClN3O2/c8-5-1-2-10-6(3-5)9-4-7(10)11(12)13/h1-4H
• InChIKey: OUZJWCHBKWOMPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-3-nitroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 7-chloro-3-nitroimidazo[1,2-a]pyridine
• Synonyms: 7-Chloro-3-nitroimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 1072944-44-5
• PubChem SID: 180675992
• PubChem CID: 46739119

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3928227
• LogD (pH = 7.4): 1.3928688
• Log P: 1.3928694
• Molar Refractivity: 46.315 cm^3
• Polarizability: 17.196259 Å^3
• Polar Surface Area: 60.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%