3,4-dimethyl-5-nitropyridine

• ChemBase ID: 309127
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: [N+](=O)(c1c(c(cnc1)C)C)[O-]
• Canonical SMILES: [O-][N+](=O)c1cncc(c1C)C
• InChI: InChI=1S/C7H8N2O2/c1-5-3-8-4-7(6(5)2)9(10)11/h3-4H,1-2H3
• InChIKey: YBGDWMNIMXOAHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethyl-5-nitropyridine
• IUPAC Traditional name: 3,4-dimethyl-5-nitropyridine
• Synonyms: 3,4-dimethyl-5-nitropyridine

Database IDs

• CAS Number: 65169-36-0
• MDL Number: MFCD06637577

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7223207
• LogD (pH = 7.4): 1.7223994
• Log P: 1.7224003
• Molar Refractivity: 40.304 cm^3
• Polarizability: 14.8602085 Å^3
• Polar Surface Area: 56.03 Å^2