3-fluoro-5-nitropyridine

• ChemBase ID: 292379
• Molecular Formular: C5H3FN2O2
• Molecular Mass: 142.0879232
• Monoisotopic Mass: 142.01785557
• SMILES: [O-][N+](=O)c1cncc(F)c1
• Canonical SMILES: [O-][N+](=O)c1cc(F)cnc1
• InChI: InChI=1S/C5H3FN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
• InChIKey: LBPCMDALPLHBTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-nitropyridine
• IUPAC Traditional name: 3-fluoro-5-nitropyridine
• Synonyms: 3-Fluoro-5-nitropyridine

Database IDs

• CAS Number: 1060804-39-8
• PubChem SID: 180677910
• PubChem CID: 46911836

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8382595
• LogD (pH = 7.4): 0.8382595
• Log P: 0.8382595
• Molar Refractivity: 30.438 cm^3
• Polarizability: 11.197494 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%