3-fluoro-2-nitropyridine

• ChemBase ID: 24250
• Molecular Formular: C5H3FN2O2
• Molecular Mass: 142.0879232
• Monoisotopic Mass: 142.01785557
• SMILES: c1cnc(c(c1)F)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ncccc1F
• InChI: InChI=1S/C5H3FN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H
• InChIKey: IJVFHCSUEBAAOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 54231-35-5
• MDL Number: MFCD04114127
• PubChem SID: 160987557
• PubChem CID: 2762802

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4327171
• LogD (pH = 7.4): 1.4327171
• Log P: 1.4327171
• Molar Refractivity: 30.7515 cm^3
• Polarizability: 11.205531 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%; 98%