3-bromo-2-chloro-5-iodopyridine

• ChemBase ID: 291931
• Molecular Formular: C5H2BrClIN
• Molecular Mass: 318.33755
• Monoisotopic Mass: 316.81038675
• SMILES: Clc1ncc(I)cc1Br
• Canonical SMILES: Ic1cnc(c(c1)Br)Cl
• InChI: InChI=1S/C5H2BrClIN/c6-4-1-3(8)2-9-5(4)7/h1-2H
• InChIKey: DVYGSKKFDUFJQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1211586-80-9
• MDL Number: MFCD13185354
• PubChem SID: 180677462
• PubChem CID: 53420840

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2774923
• LogD (pH = 7.4): 3.2774923
• Log P: 3.2774923
• Molar Refractivity: 50.7525 cm^3
• Polarizability: 19.90748 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%