2,3-dimethyl-4-nitropyridine

• ChemBase ID: 812273
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: n1c(c(c(cc1)[N+](=O)[O-])C)C
• Canonical SMILES: [O-][N+](=O)c1ccnc(c1C)C
• InChI: InChI=1S/C7H8N2O2/c1-5-6(2)8-4-3-7(5)9(10)11/h3-4H,1-2H3
• InChIKey: WSQGOUOZNCRFNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-4-nitropyridine
• IUPAC Traditional name: 2,3-dimethyl-4-nitropyridine
• Synonyms: 2,3-DIMETHYL-4-NITROPYRIDINE

Database IDs

• CAS Number: 68707-69-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3400685
• LogD (pH = 7.4): 1.3403456
• Log P: 1.3403491
• Molar Refractivity: 39.8543 cm^3
• Polarizability: 14.862255 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%