3,5-dibromo-2-chloropyridine

• ChemBase ID: 21948
• Molecular Formular: C5H2Br2ClN
• Molecular Mass: 271.33708
• Monoisotopic Mass: 268.82425075
• SMILES: c1(cnc(c(c1)Br)Cl)Br
• Canonical SMILES: Brc1cnc(c(c1)Br)Cl
• InChI: InChI=1S/C5H2Br2ClN/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: PYSICVOJSJMFKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-chloropyridine
• IUPAC Traditional name: 3,5-dibromo-2-chloropyridine
• Synonyms: 3,5-Dibromo-2-chloropyridine; 2-Chloro-3,5-dibromopyridine

Database IDs

• CAS Number: 40360-47-2
• MDL Number: MFCD00233991
• PubChem SID: 160985255
• PubChem CID: 817092

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1173005
• LogD (pH = 7.4): 3.1173005
• Log P: 3.1173005
• Molar Refractivity: 45.0128 cm^3
• Polarizability: 17.514801 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%