5-bromo-4-chloro-2-iodopyridine

• ChemBase ID: 801922
• Molecular Formular: C5H2BrClIN
• Molecular Mass: 318.33755
• Monoisotopic Mass: 316.81038675
• SMILES: n1c(cc(c(c1)Br)Cl)I
• Canonical SMILES: Ic1ncc(c(c1)Cl)Br
• InChI: InChI=1S/C5H2BrClIN/c6-3-2-9-5(8)1-4(3)7/h1-2H
• InChIKey: ZODORGXMTBDMLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-chloro-2-iodopyridine
• IUPAC Traditional name: 5-bromo-4-chloro-2-iodopyridine
• Synonyms: 5-BROMO-4-CHLORO-2-IODOPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0899026
• LogD (pH = 7.4): 3.0899029
• Log P: 3.0899029
• Molar Refractivity: 49.3993 cm^3
• Polarizability: 19.928984 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%