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CS-W001157 4
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2,5-Dibromonicotinic acid

  • CAS No. 29312-99-0

  • Cat. No. CS-0005553
  • Purity≥97%
  • MDL No.MFCD06254512

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

2,5-Dibromonicotinic acid|CS-0005553

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General Information

  • CAS No. 29312-99-0
  • Cat. No. CS-0005553
  • Purity ≥97%
  • MDL No. MFCD06254512
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃Br₂NO₂
  • Molecular Weight 280.90
  • Synonym(s) 2,5-dibromopyridine-3-carboxylicaci
  • SMILES O=C(O)C1=C(Br)N=CC(Br)=C1

Description

2,5-Dibromonicotinic acid features two bromine substituents at the 2- and 5-positions of the nicotinic acid scaffold, enhancing its electron-deficient character and enabling direct functionalization in cross-coupling reactions. This bench-stable derivative serves as a key building block for bioactive heterocycles and advanced synthetic intermediates in medicinal chemistry and materials science.

Application

2,5-Dibromonicotinic acid serves as a versatile building block for the synthesis of brominated heterocycles and functionalized pyridine derivatives. Its dual bromo substituents enable sequential cross-coupling reactions, facilitating the construction of complex scaffolds in medicinal chemistry and materials science. The carboxylic acid group provides a handle for derivatization via esterification, amide formation, or decarboxylation, enhancing synthetic flexibility. Bench-stable and readily purified by recrystallization, it supports scalable, high-yield transformations in standard organic workflows.

Safety Information

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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

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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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