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

• ChemBase ID: 290459
• Molecular Formular: C8H7N3O2
• Molecular Mass: 177.16008
• Monoisotopic Mass: 177.05382648
• SMILES: O=[N+](c1cnc2cc(C)ccn12)[O-]
• Canonical SMILES: Cc1ccn2c(c1)ncc2[N+](=O)[O-]
• InChI: InChI=1S/C8H7N3O2/c1-6-2-3-10-7(4-6)9-5-8(10)11(12)13/h2-5H,1H3
• InChIKey: ZOAYHVZFPBPFJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 34165-07-6
• PubChem SID: 180675990
• PubChem CID: 327953

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.302152
• LogD (pH = 7.4): 1.3022448
• Log P: 1.302246
• Molar Refractivity: 46.5514 cm^3
• Polarizability: 16.976686 Å^3
• Polar Surface Area: 60.44 Å^2
• Rotatable Bonds: 1

PROPERTIES

Product Information

• Purity: 95+%