4-bromo-3,5-difluoropyridine

• ChemBase ID: 64762
• Molecular Formular: C5H2BrF2N
• Molecular Mass: 193.9768864
• Monoisotopic Mass: 192.93386751
• SMILES: c1(cncc(c1Br)F)F
• Canonical SMILES: Fc1cncc(c1Br)F
• InChI: InChI=1S/C5H2BrF2N/c6-5-3(7)1-9-2-4(5)8/h1-2H
• InChIKey: GUHHQICCMWFQAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-3,5-difluoropyridine
• IUPAC Traditional name: 4-bromo-3,5-difluoropyridine
• Synonyms: 4-Bromo-3,5-difluoropyridine

Database IDs

• CAS Number: 1092352-40-3
• MDL Number: MFCD11505879
• PubChem SID: 162030501
• PubChem CID: 37819153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8097297
• LogD (pH = 7.4): 1.8097299
• Log P: 1.8097299
• Molar Refractivity: 31.9567 cm^3
• Polarizability: 12.152021 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

Product Information

• Purity: 95+%