4-bromo-2,6-difluoropyridine

• ChemBase ID: 294774
• Molecular Formular: C5H2BrF2N
• Molecular Mass: 193.9768864
• Monoisotopic Mass: 192.93386751
• SMILES: Fc1cc(Br)cc(F)n1
• Canonical SMILES: Brc1cc(F)nc(c1)F
• InChI: InChI=1S/C5H2BrF2N/c6-3-1-4(7)9-5(8)2-3/h1-2H
• InChIKey: MJRNQISNYVXBKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,6-difluoropyridine
• IUPAC Traditional name: 4-bromo-2,6-difluoropyridine
• Synonyms: 4-Bromo-2,6-difluoropyridine

Database IDs

• CAS Number: 903513-58-6
• MDL Number: MFCD21603855
• PubChem SID: 180680305
• PubChem CID: 22015559

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: 12.139828 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%