2-bromo-3,5-dichloropyridine

• ChemBase ID: 15111
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: c1(c(cc(cn1)Cl)Cl)Br
• Canonical SMILES: Clc1cnc(c(c1)Cl)Br
• InChI: InChI=1S/C5H2BrCl2N/c6-5-4(8)1-3(7)2-9-5/h1-2H
• InChIKey: QCKPJWDIDCGQRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3,5-dichloropyridine
• IUPAC Traditional name: 2-bromo-3,5-dichloropyridine
• Synonyms: 2-Bromo-3,5-dichloropyridine; 3,5-Dichloro-2-bromopyridine

Database IDs

• CAS Number: 14482-51-0
• MDL Number: MFCD00233990
• PubChem SID: 160978418
• PubChem CID: 817090

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9379373
• LogD (pH = 7.4): 2.9379375
• Log P: 2.9379375
• Molar Refractivity: 41.9757 cm^3
• Polarizability: 16.372484 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40-42°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%