5-bromo-2,3-difluoropyridine

• ChemBase ID: 38357
• Molecular Formular: C5H2BrF2N
• Molecular Mass: 193.9768864
• Monoisotopic Mass: 192.93386751
• SMILES: c1(c(cc(cn1)Br)F)F
• Canonical SMILES: Brc1cnc(c(c1)F)F
• InChI: InChI=1S/C5H2BrF2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: QVIQXJRQVOPYGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 89402-44-8
• MDL Number: MFCD06659525
• PubChem SID: 161001664
• PubChem CID: 14549654

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: 12.141567 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 98%