3-bromo-2-fluoro-6-iodopyridine

• ChemBase ID: 801926
• Molecular Formular: C5H2BrFIN
• Molecular Mass: 301.8829532
• Monoisotopic Mass: 300.83993729
• SMILES: n1c(c(ccc1I)Br)F
• Canonical SMILES: Ic1ccc(c(n1)F)Br
• InChI: InChI=1S/C5H2BrFIN/c6-3-1-2-4(8)9-5(3)7/h1-2H
• InChIKey: RBEHXSPQSJBJIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-fluoro-6-iodopyridine
• IUPAC Traditional name: 3-bromo-2-fluoro-6-iodopyridine
• Synonyms: 3-BROMO-2-FLUORO-6-IODOPYRIDINE

Database IDs

• CAS Number: 1260665-99-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0224907
• LogD (pH = 7.4): 3.0224907
• Log P: 3.0224907
• Molar Refractivity: 45.8256 cm^3
• Polarizability: 17.871784 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%