2-bromo-5-chloro-4-iodopyridine

• ChemBase ID: 801181
• Molecular Formular: C5H2BrClIN
• Molecular Mass: 318.33755
• Monoisotopic Mass: 316.81038675
• SMILES: n1c(cc(c(c1)Cl)I)Br
• Canonical SMILES: Brc1ncc(c(c1)I)Cl
• InChI: InChI=1S/C5H2BrClIN/c6-5-1-4(8)3(7)2-9-5/h1-2H
• InChIKey: UPWHKYFBMYMQJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1061357-88-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2628372
• LogD (pH = 7.4): 3.2628372
• Log P: 3.2628372
• Molar Refractivity: 50.5334 cm^3
• Polarizability: 19.907928 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%