2-fluoro-6-methyl-3-nitropyridine

• ChemBase ID: 68188
• Molecular Formular: C6H5FN2O2
• Molecular Mass: 156.1145032
• Monoisotopic Mass: 156.03350563
• SMILES: c1(c(ccc(n1)C)[N+](=O)[O-])F
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1F)C
• InChI: InChI=1S/C6H5FN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3
• InChIKey: BCCWOQXQVNCXKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-methyl-3-nitropyridine
• IUPAC Traditional name: 2-fluoro-6-methyl-3-nitropyridine
• Synonyms: 2-Fluoro-6-methyl-3-nitropyridine

Database IDs

• CAS Number: 19346-45-3
• MDL Number: MFCD03095067
• PubChem SID: 162033920
• PubChem CID: 2783178

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3635603
• LogD (pH = 7.4): 1.3635603
• Log P: 1.3635603
• Molar Refractivity: 36.0442 cm^3
• Polarizability: 12.923472 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%