2-bromo-3,6-dichloropyridine

• ChemBase ID: 242027
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: n1c(c(ccc1Cl)Cl)Br
• Canonical SMILES: Clc1ccc(c(n1)Br)Cl
• InChI: InChI=1S/C5H2BrCl2N/c6-5-3(7)1-2-4(8)9-5/h1-2H
• InChIKey: PRMITIHCWOXLQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18447566
• PubChem SID: 164297937
• PubChem CID: 21551815

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: 16.40871 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.918

Product Information

• Purity: 95%