2-fluoro-5-nitropyridine

• ChemBase ID: 67440
• Molecular Formular: C5H3FN2O2
• Molecular Mass: 142.0879232
• Monoisotopic Mass: 142.01785557
• SMILES: c1(ccc(cn1)[N+](=O)[O-])F
• Canonical SMILES: Fc1ccc(cn1)[N+](=O)[O-]
• InChI: InChI=1S/C5H3FN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H
• InChIKey: XOZAJNLUAODXSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-nitropyridine
• IUPAC Traditional name: 2-fluoro-5-nitropyridine
• Synonyms: 2-Fluoro-5-nitropyridine

Database IDs

• CAS Number: 456-24-6
• MDL Number: MFCD03095059
• PubChem SID: 162033175
• PubChem CID: 95264

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2321901
• LogD (pH = 7.4): 1.2321901
• Log P: 1.2321901
• Molar Refractivity: 31.4527 cm^3
• Polarizability: 11.196611 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-144°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%