5-bromo-2,4-dichloropyridine

• ChemBase ID: 52728
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: c1(cnc(cc1Cl)Cl)Br
• Canonical SMILES: Clc1ncc(c(c1)Cl)Br
• InChI: InChI=1S/C5H2BrCl2N/c6-3-2-9-5(8)1-4(3)7/h1-2H
• InChIKey: SGCSNJNPPSSPKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,4-dichloropyridine
• IUPAC Traditional name: 5-bromo-2,4-dichloropyridine
• Synonyms: 5-Bromo-2,4-dichloropyridine; 5-BROMO-2,4-DICHLORO-PYRIDINE

Database IDs

• CAS Number: 849937-96-8
• MDL Number: MFCD09031035
• PubChem SID: 162057491
• PubChem CID: 12175133

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: 16.356386 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%