4-bromo-3-(difluoromethyl)pyridine

• ChemBase ID: 66191
• Molecular Formular: C6H4BrF2N
• Molecular Mass: 208.0034664
• Monoisotopic Mass: 206.94951757
• SMILES: c1c(c(ccn1)Br)C(F)F
• Canonical SMILES: FC(c1cnccc1Br)F
• InChI: InChI=1S/C6H4BrF2N/c7-5-1-2-10-3-4(5)6(8)9/h1-3,6H
• InChIKey: WBGPWMOAKBGODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-3-(difluoromethyl)pyridine
• IUPAC Traditional name: 4-bromo-3-(difluoromethyl)pyridine
• Synonyms: 4-Bromo-3-(difluoromethyl)pyridine

Database IDs

• MDL Number: MFCD18257231
• PubChem SID: 162031930
• PubChem CID: 60623009

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9108269
• LogD (pH = 7.4): 1.9133813
• Log P: 1.913414
• Molar Refractivity: 36.6079 cm^3
• Polarizability: 13.930178 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%