2-bromo-3,4,5-trichloropyridine

• ChemBase ID: 291680
• Molecular Formular: C5HBrCl3N
• Molecular Mass: 261.33114
• Monoisotopic Mass: 258.83579408
• SMILES: Clc1cnc(Br)c(Cl)c1Cl
• Canonical SMILES: Clc1cnc(c(c1Cl)Cl)Br
• InChI: InChI=1S/C5HBrCl3N/c6-5-4(9)3(8)2(7)1-10-5/h1H
• InChIKey: FIVRAKJGPYXVEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3,4,5-trichloropyridine
• IUPAC Traditional name: 2-bromo-3,4,5-trichloropyridine
• Synonyms: 2-Bromo-3,4,5-trichloropyridine

Database IDs

• CAS Number: 1330061-11-4
• PubChem SID: 180677211
• PubChem CID: 70700281

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5419822
• LogD (pH = 7.4): 3.5419822
• Log P: 3.5419822
• Molar Refractivity: 46.7805 cm^3
• Polarizability: 18.435041 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%