4-bromo-2-fluoro-3-iodopyridine

• ChemBase ID: 65171
• Molecular Formular: C5H2BrFIN
• Molecular Mass: 301.8829532
• Monoisotopic Mass: 300.83993729
• SMILES: c1cnc(c(c1Br)I)F
• Canonical SMILES: Brc1ccnc(c1I)F
• InChI: InChI=1S/C5H2BrFIN/c6-3-1-2-9-5(7)4(3)8/h1-2H
• InChIKey: QNCJOPUYVGQTNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-fluoro-3-iodopyridine
• IUPAC Traditional name: 4-bromo-2-fluoro-3-iodopyridine
• Synonyms: 4-Bromo-2-fluoro-3-iodopyridine

Database IDs

• CAS Number: 917969-51-8
• MDL Number: MFCD17014987
• PubChem SID: 162030910
• PubChem CID: 46839908

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9899032
• LogD (pH = 7.4): 2.9899032
• Log P: 2.9899032
• Molar Refractivity: 46.1175 cm^3
• Polarizability: 17.810331 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