2,6-difluoro-3-nitropyridine

• ChemBase ID: 98023
• Molecular Formular: C5H2F2N2O2
• Molecular Mass: 160.0783864
• Monoisotopic Mass: 160.00843375
• SMILES: Fc1c(ccc(n1)F)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1F)F
• InChI: InChI=1S/C5H2F2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
• InChIKey: GFDZKTFHLUFNPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-3-nitropyridine
• IUPAC Traditional name: 2,6-difluoro-3-nitropyridine
• Synonyms: 2,6-Difluoro-3-nitropyridine

Database IDs

• CAS Number: 58602-02-1
• PubChem SID: 162084496
• PubChem CID: 11389546

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7688228
• LogD (pH = 7.4): 1.7688228
• Log P: 1.7688228
• Molar Refractivity: 32.6838 cm^3
• Polarizability: 11.120323 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store under Argon

Product Information

• Purity: 95+%