4-bromo-3,5-dichloropyridine

• ChemBase ID: 19171
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: c1c(c(c(cn1)Cl)Br)Cl
• Canonical SMILES: Clc1cncc(c1Br)Cl
• InChI: InChI=1S/C5H2BrCl2N/c6-5-3(7)1-9-2-4(5)8/h1-2H
• InChIKey: LOKLQBZBVPYAQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-3,5-dichloropyridine
• IUPAC Traditional name: 4-bromo-3,5-dichloropyridine
• Synonyms: 4-Bromo-3,5-dichloropyridine

Database IDs

• CAS Number: 343781-45-3
• MDL Number: MFCD06797978
• PubChem SID: 160982478
• PubChem CID: 10680788

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7324116
• LogD (pH = 7.4): 2.7324154
• Log P: 2.7324154
• Molar Refractivity: 41.1335 cm^3
• Polarizability: 16.33627 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/Store under Argon/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%; 98%