2,3-dibromo-5-chloropyridine

• ChemBase ID: 19136
• Molecular Formular: C5H2Br2ClN
• Molecular Mass: 271.33708
• Monoisotopic Mass: 268.82425075
• SMILES: c1(c(cc(cn1)Cl)Br)Br
• Canonical SMILES: Clc1cnc(c(c1)Br)Br
• InChI: InChI=1S/C5H2Br2ClN/c6-4-1-3(8)2-9-5(4)7/h1-2H
• InChIKey: GDUFWKJMOOVEMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-5-chloropyridine
• IUPAC Traditional name: 2,3-dibromo-5-chloropyridine
• Synonyms: 5-Chloro-2,3-dibromopyridine; 2,3-Dibromo-5-chloropyridine; 2,3 DIBROMO-5-CHLORO PYRIDINE

Database IDs

• CAS Number: 137628-17-2
• MDL Number: MFCD08687254
• PubChem SID: 160982443
• PubChem CID: 11000162

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1026454
• LogD (pH = 7.4): 3.1026454
• Log P: 3.1026454
• Molar Refractivity: 44.7937 cm^3
• Polarizability: 17.512432 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-43°C

Safety Information

• Storage Warning: IRRITANT, KEEP COLD; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%; 98%