2-fluoro-4-nitropyridine

• ChemBase ID: 95149
• Molecular Formular: C5H3FN2O2
• Molecular Mass: 142.0879232
• Monoisotopic Mass: 142.01785557
• SMILES: n1c(cc(cc1)[N+](=O)[O-])F
• Canonical SMILES: Fc1nccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C5H3FN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
• InChIKey: BOGKTBKWDIUAGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-nitropyridine
• IUPAC Traditional name: 2-fluoro-4-nitropyridine
• Synonyms: 2-Fluoro-4-nitropyridine 95+%; 2-Fluoro-4-nitropyridine

Database IDs

• CAS Number: 18614-46-5
• MDL Number: MFCD04112489
• PubChem SID: 162081799
• PubChem CID: 2762829

CALCULATED PROPERTIES

• 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: 11.196993 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Physical Property

• Melting Point: 46°C

Safety Information

• Storage Warning: Irritant/Store under Argon

Product Information

• Purity: 95+%; 98%