5-chloro-3-fluoro-2-nitropyridine

• ChemBase ID: 289775
• Molecular Formular: C5H2ClFN2O2
• Molecular Mass: 176.5329832
• Monoisotopic Mass: 175.97888321
• SMILES: O=[N+](c1ncc(Cl)cc1F)[O-]
• Canonical SMILES: Clc1cnc(c(c1)F)[N+](=O)[O-]
• InChI: InChI=1S/C5H2ClFN2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H
• InChIKey: FUKOQNFWJNNEQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-fluoro-2-nitropyridine
• IUPAC Traditional name: 5-chloro-3-fluoro-2-nitropyridine
• Synonyms: 5-Chloro-3-fluoro-2-nitropyridine

Database IDs

• CAS Number: 1064783-29-4
• MDL Number: MFCD19690192
• PubChem SID: 180675306
• PubChem CID: 53438964

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0367618
• LogD (pH = 7.4): 2.0367618
• Log P: 2.0367618
• Molar Refractivity: 35.5563 cm^3
• Polarizability: 13.227604 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%