2-bromo-4,6-dichloropyridine

• ChemBase ID: 815407
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: n1c(cc(cc1Cl)Cl)Br
• Canonical SMILES: Clc1cc(Cl)nc(c1)Br
• InChI: InChI=1S/C5H2BrCl2N/c6-4-1-3(7)2-5(8)9-4/h1-2H
• InChIKey: PSHHIOYWDATHOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4,6-dichloropyridine
• IUPAC Traditional name: 2-bromo-4,6-dichloropyridine
• Synonyms: 2-bromo-4,6-dichloropyridine

Database IDs

• CAS Number: 1060815-15-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1581147
• LogD (pH = 7.4): 3.1581147
• Log P: 3.1581147
• Molar Refractivity: 43.037 cm^3
• Polarizability: 16.391438 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%