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

• ChemBase ID: 290460
• Molecular Formular: C8H7N3O2
• Molecular Mass: 177.16008
• Monoisotopic Mass: 177.05382648
• SMILES: O=[N+](c1cnc2ccc(C)cn12)[O-]
• Canonical SMILES: Cc1ccc2n(c1)c(cn2)[N+](=O)[O-]
• InChI: InChI=1S/C8H7N3O2/c1-6-2-3-7-9-4-8(11(12)13)10(7)5-6/h2-5H,1H3
• InChIKey: CUUHOYDMDHFMIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 67625-28-9
• PubChem SID: 180675991
• PubChem CID: 327954

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3020737
• LogD (pH = 7.4): 1.3022438
• Log P: 1.302246
• Molar Refractivity: 46.5514 cm^3
• Polarizability: 16.975039 Å^3
• Polar Surface Area: 60.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%