3-bromo-2,5-difluoropyridine

• ChemBase ID: 98748
• Molecular Formular: C5H2BrF2N
• Molecular Mass: 193.9768864
• Monoisotopic Mass: 192.93386751
• SMILES: n1cc(cc(c1F)Br)F
• Canonical SMILES: Fc1cnc(c(c1)Br)F
• InChI: InChI=1S/C5H2BrF2N/c6-4-1-3(7)2-9-5(4)8/h1-2H
• InChIKey: SCRAIOJQLNXLKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1211331-43-9
• MDL Number: MFCD01766184
• PubChem SID: 162105275
• PubChem CID: 14600696

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2036605
• LogD (pH = 7.4): 2.2036605
• Log P: 2.2036605
• Molar Refractivity: 32.9714 cm^3
• Polarizability: 12.15033 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Argon

Product Information

• Purity: 95+%