2,3-difluoro-5-nitropyridine

• ChemBase ID: 288968
• Molecular Formular: C5H2F2N2O2
• Molecular Mass: 160.0783864
• Monoisotopic Mass: 160.00843375
• SMILES: O=[N+](c1cnc(F)c(F)c1)[O-]
• Canonical SMILES: [O-][N+](=O)c1cnc(c(c1)F)F
• InChI: InChI=1S/C5H2F2N2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H
• InChIKey: YJBQJGQRNAZQPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-5-nitropyridine
• IUPAC Traditional name: 2,3-difluoro-5-nitropyridine
• Synonyms: 2,3-Difluoro-5-nitropyridine

Database IDs

• CAS Number: 954219-68-2
• PubChem SID: 180674499
• PubChem CID: 22308697

CALCULATED PROPERTIES

• Acid pKa: 19.485218
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3748921
• LogD (pH = 7.4): 1.3748921
• Log P: 1.3748921
• Molar Refractivity: 31.6691 cm^3
• Polarizability: 11.118268 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%