2,4-dibromo-3-chloropyridine

• ChemBase ID: 244538
• Molecular Formular: C5H2Br2ClN
• Molecular Mass: 271.33708
• Monoisotopic Mass: 268.82425075
• SMILES: c1(c(nccc1Br)Br)Cl
• Canonical SMILES: Clc1c(Br)ccnc1Br
• InChI: InChI=1S/C5H2Br2ClN/c6-3-1-2-9-5(7)4(3)8/h1-2H
• InChIKey: WCARRWYHMKUGRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-3-chloropyridine
• IUPAC Traditional name: 2,4-dibromo-3-chloropyridine
• Synonyms: 2,4-dibromo-3-chloropyridine

Database IDs

• MDL Number: MFCD00233992
• PubChem SID: 164300448
• PubChem CID: 817093

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1026452
• LogD (pH = 7.4): 3.1026454
• Log P: 3.1026454
• Molar Refractivity: 44.7937 cm^3
• Polarizability: 17.529821 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.928

Product Information

• Purity: 95%