5-bromo-2,3-dichloropyridine

• ChemBase ID: 22294
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: c1(cnc(c(c1)Cl)Cl)Br
• Canonical SMILES: Brc1cnc(c(c1)Cl)Cl
• InChI: InChI=1S/C5H2BrCl2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: XWSCOGPKWVNQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 97966-00-2
• MDL Number: MFCD04112492
• PubChem SID: 160985601
• PubChem CID: 12747760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9525926
• LogD (pH = 7.4): 2.9525926
• Log P: 2.9525926
• Molar Refractivity: 42.1948 cm^3
• Polarizability: 16.376102 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 97%; 98%