2-fluoro-3-nitropyridine

• ChemBase ID: 16362
• Molecular Formular: C5H3FN2O2
• Molecular Mass: 142.0879232
• Monoisotopic Mass: 142.01785557
• SMILES: c1cnc(c(c1)[N+](=O)[O-])F
• Canonical SMILES: [O-][N+](=O)c1cccnc1F
• InChI: InChI=1S/C5H3FN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H
• InChIKey: QDKIYDGHCFZBGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1480-87-1
• MDL Number: MFCD03095068
• PubChem SID: 160979669
• PubChem CID: 2762817

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: 11.197473 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 17.8°C; 87 - 89°C
• Boiling Point: 109-110°C/10mm
• Refractive Index: 1.528
• Hydrophobicity(logP): 0.44

Safety Information

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

Product Information

• Purity: 95%; 97%; 98%