5-bromo-3-fluoro-2-iodopyridine

• ChemBase ID: 801923
• Molecular Formular: C5H2BrFIN
• Molecular Mass: 301.8829532
• Monoisotopic Mass: 300.83993729
• SMILES: n1c(c(cc(c1)Br)F)I
• Canonical SMILES: Brc1cnc(c(c1)F)I
• InChI: InChI=1S/C5H2BrFIN/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: KHKQFFYXJLITMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-fluoro-2-iodopyridine
• IUPAC Traditional name: 5-bromo-3-fluoro-2-iodopyridine
• Synonyms: 5-BROMO-3-FLUORO-2-IODOPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.62856
• LogD (pH = 7.4): 2.62856
• Log P: 2.62856
• Molar Refractivity: 44.8109 cm^3
• Polarizability: 17.87613 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%