3-bromo-2-fluoro-5-iodopyridine

• ChemBase ID: 93091
• Molecular Formular: C5H2BrFIN
• Molecular Mass: 301.8829532
• Monoisotopic Mass: 300.83993729
• SMILES: n1cc(cc(c1F)Br)I
• Canonical SMILES: Ic1cnc(c(c1)Br)F
• InChI: InChI=1S/C5H2BrFIN/c6-4-1-3(8)2-9-5(4)7/h1-2H
• InChIKey: MLOIGFZNGAEEDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-fluoro-5-iodopyridine
• IUPAC Traditional name: 3-bromo-2-fluoro-5-iodopyridine
• Synonyms: 3-Bromo-2-fluoro-5-iodopyridine

Database IDs

• CAS Number: 697300-72-4
• PubChem SID: 162079780
• PubChem CID: 46238396

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: 17.803978 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful