2-chloro-3-fluoro-5-nitropyridine

• ChemBase ID: 287750
• Molecular Formular: C5H2ClFN2O2
• Molecular Mass: 176.5329832
• Monoisotopic Mass: 175.97888321
• SMILES: [O-][N+](=O)c1cnc(Cl)c(F)c1
• Canonical SMILES: [O-][N+](=O)c1cnc(c(c1)F)Cl
• InChI: InChI=1S/C5H2ClFN2O2/c6-5-4(7)1-3(2-8-5)9(10)11/h1-2H
• InChIKey: SHXURKRHCSAERA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1079179-12-6
• PubChem SID: 180673281
• PubChem CID: 52982879

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6624814
• LogD (pH = 7.4): 1.6624814
• Log P: 1.6624814
• Molar Refractivity: 36.3041 cm^3
• Polarizability: 13.281611 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%