6-bromo-2,3-dichloropyridine

• ChemBase ID: 32964
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: c1c(nc(c(c1)Cl)Cl)Br
• Canonical SMILES: Brc1ccc(c(n1)Cl)Cl
• InChI: InChI=1S/C5H2BrCl2N/c6-4-2-1-3(7)5(8)9-4/h1-2H
• InChIKey: BBYIDUQXOFZISY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,3-dichloropyridine
• IUPAC Traditional name: 6-bromo-2,3-dichloropyridine
• Synonyms: 6-Bromo-2,3-dichloropyridine; 6-Bromo-2,3-dichloropyridine

Database IDs

• CAS Number: 1033820-08-4
• MDL Number: MFCD11857711
• PubChem SID: 160996271
• PubChem CID: 46736834

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: 16.42225 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H2BrCl2N

DETAILS

Sigma Aldrich - ADE000573

Other Notes
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