4-fluoro-3-nitropyridine

• ChemBase ID: 97784
• Molecular Formular: C5H3FN2O2
• Molecular Mass: 142.0879232
• Monoisotopic Mass: 142.01785557
• SMILES: n1cc(c(cc1)F)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cnccc1F
• InChI: InChI=1S/C5H3FN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H
• InChIKey: ITEDEJJEXBFZGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-nitropyridine
• IUPAC Traditional name: 4-fluoro-3-nitropyridine
• Synonyms: 4-Fluoro-3-nitropyridine

Database IDs

• CAS Number: 115812-96-9
• MDL Number: MFCD04114254
• PubChem SID: 162084335
• PubChem CID: 20129128

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8382581
• LogD (pH = 7.4): 0.8382595
• Log P: 0.8382595
• Molar Refractivity: 30.438 cm^3
• Polarizability: 11.196097 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon/Keep Cold

Product Information

• Purity: 98%