3,5-dibromo-2,6-difluoropyridine

• ChemBase ID: 93097
• Molecular Formular: C5HBr2F2N
• Molecular Mass: 272.8729464
• Monoisotopic Mass: 270.84437948
• SMILES: n1c(c(cc(c1F)Br)Br)F
• Canonical SMILES: Brc1cc(Br)c(nc1F)F
• InChI: InChI=1S/C5HBr2F2N/c6-2-1-3(7)5(9)10-4(2)8/h1H
• InChIKey: FGTBUWCNYCKCTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2,6-difluoropyridine
• IUPAC Traditional name: 3,5-dibromo-2,6-difluoropyridine
• Synonyms: 3,5-Dibromo-2,6-difluoropyridine 95%

Database IDs

• CAS Number: 685517-84-4
• PubChem SID: 162079785
• PubChem CID: 46238456

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3663437
• LogD (pH = 7.4): 3.3663437
• Log P: 3.3663437
• Molar Refractivity: 41.6089 cm^3
• Polarizability: 15.424239 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive