3-bromo-2-chloro-6-iodopyridine

• ChemBase ID: 801925
• Molecular Formular: C5H2BrClIN
• Molecular Mass: 318.33755
• Monoisotopic Mass: 316.81038675
• SMILES: n1c(c(ccc1I)Br)Cl
• Canonical SMILES: Ic1ccc(c(n1)Cl)Br
• InChI: InChI=1S/C5H2BrClIN/c6-3-1-2-4(8)9-5(3)7/h1-2H
• InChIKey: HYVSDDATRPKVMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-chloro-6-iodopyridine
• IUPAC Traditional name: 3-bromo-2-chloro-6-iodopyridine
• Synonyms: 3-BROMO-2-CHLORO-6-IODOPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.31008
• LogD (pH = 7.4): 3.31008
• Log P: 3.31008
• Molar Refractivity: 50.4606 cm^3
• Polarizability: 19.978281 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%