3-bromo-4,5-dichloropyridine

• ChemBase ID: 288704
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: Clc1cncc(Br)c1Cl
• Canonical SMILES: Clc1c(Cl)cncc1Br
• InChI: InChI=1S/C5H2BrCl2N/c6-3-1-9-2-4(7)5(3)8/h1-2H
• InChIKey: YPRODAZVOKKURG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1001056-83-2
• MDL Number: MFCD17014545
• PubChem SID: 180674235
• PubChem CID: 68742653

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7324033
• LogD (pH = 7.4): 2.7324152
• Log P: 2.7324154
• Molar Refractivity: 41.1335 cm^3
• Polarizability: 16.33929 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%