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CS-W001157 4
Total: USD 88.00

2,5-Dibromo-isonicotinicacid

  • CAS No. 942473-59-8

  • Cat. No. CS-D0434
  • Molecule weight280.90
  • Purity≥96%
  • MDL No.MFCD08741485

*For research and further manufacturing use only, not for direct human use.

2,5-Dibromo-isonicotinicacid|CS-D0434

Structure of 942473-59-8

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General Information

  • CAS No. 942473-59-8
  • Cat. No. CS-D0434
  • Purity ≥96%
  • MDL No. MFCD08741485
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃Br₂NO₂
  • Molecular Weight 280.90
  • Synonym(s) 2,5-Dibromoisonicotinic acid
  • SMILES O=C(O)C1=C(Br)C=NC(Br)=C1

Description

2,5-Dibromo-isonicotinic acid features a pyridine ring bearing bromine substituents at the 2 and 5 positions, conferring enhanced electrophilicity and stability. This configuration enables direct functionalization in cross-coupling reactions and facilitates integration into bioactive scaffolds requiring halogen-directed derivatization.

Application

2,5-Dibromo-isonicotinic acid serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its ortho-dibromo substitution enables palladium-catalyzed cross-coupling reactions with high efficiency, while the carboxylic acid group facilitates direct derivatization or salt formation. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for scalable synthetic workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • In-stock
      2,5-Dibromopyridine|CS-W001991
      624-28-2
    • null|null
      124-38-9
    • ~%
    • In-stock
      2,5-Dibromo-isonicotinicacid|CS-D0434
      942473-59-8

    References

    • US2014/66453 A1, ; Paragraph 0270-0271 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.3048
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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