3,5-dibromo-4-chloropyridine

• ChemBase ID: 65620
• Molecular Formular: C5H2Br2ClN
• Molecular Mass: 271.33708
• Monoisotopic Mass: 268.82425075
• SMILES: c1(cncc(c1Cl)Br)Br
• Canonical SMILES: Brc1cncc(c1Cl)Br
• InChI: InChI=1S/C5H2Br2ClN/c6-3-1-9-2-4(7)5(3)8/h1-2H
• InChIKey: XNXHPEUZNXWWCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-4-chloropyridine
• IUPAC Traditional name: 3,5-dibromo-4-chloropyridine
• Synonyms: 3,5-Dibromo-4-chloropyridine

Database IDs

• CAS Number: 13626-17-0
• MDL Number: MFCD00233993
• PubChem SID: 162031359
• PubChem CID: 817094

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8971097
• LogD (pH = 7.4): 2.897123
• Log P: 2.8971233
• Molar Refractivity: 43.9515 cm^3
• Polarizability: 17.478964 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+%; 97%