3-bromo-2,6-difluoropyridine

• ChemBase ID: 64858
• Molecular Formular: C5H2BrF2N
• Molecular Mass: 193.9768864
• Monoisotopic Mass: 192.93386751
• SMILES: c1c(nc(c(c1)Br)F)F
• Canonical SMILES: Fc1ccc(c(n1)F)Br
• InChI: InChI=1S/C5H2BrF2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
• InChIKey: GLWVPTDEVHPILQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2,6-difluoropyridine
• IUPAC Traditional name: 3-bromo-2,6-difluoropyridine
• Synonyms: 3-Bromo-2,5-difluoropyridine

Database IDs

• CAS Number: 80392-79-6
• MDL Number: MFCD12827553
• PubChem SID: 162030597
• PubChem CID: 19765739

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5975912
• LogD (pH = 7.4): 2.5975912
• Log P: 2.5975912
• Molar Refractivity: 33.9861 cm^3
• Polarizability: 12.149361 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false