Cas no 98555-51-2 (5-Bromopyridine-2,3-dicarboxylic acid)

5-Bromopyridine-2,3-dicarboxylic acid is a brominated pyridine derivative featuring two carboxylic acid functional groups at the 2- and 3-positions. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and coordination complexes. The presence of both bromine and carboxylic acid groups allows for selective functionalization, enabling further derivatization through cross-coupling reactions or amidation. Its rigid pyridine core enhances stability, while the electron-withdrawing effects of the substituents influence reactivity patterns. The compound is typically used in research settings for constructing heterocyclic frameworks or as a ligand precursor in metal-organic chemistry. Proper handling is advised due to potential reactivity of the functional groups.
5-Bromopyridine-2,3-dicarboxylic acid structure
98555-51-2 structure
Product Name:5-Bromopyridine-2,3-dicarboxylic acid
CAS No:98555-51-2
MF:C7H4BrNO4
MW:246.014961242676
MDL:MFCD07364745
CID:61982
PubChem ID:15481066
Update Time:2025-10-28

5-Bromopyridine-2,3-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromopyridine-2,3-dicarboxylic acid
    • 5-(2,5-DICHLOROPHENYL)-1H-TETRAZOLE
    • 5-bromo-2,3-Pyridinedicarboxylic acid
    • 5-BroMo-Pyridine-2,3-Dicarboxylic acid
    • DIMETHYL 5-BROMOPYRIDINE-2,3-DICARBOXYLATE
    • 5-Brom-chinolinsaeure
    • 5-Brom-pyridin-2,3-dicarbonsaeure
    • 2,3-Pyridinedicarboxylic acid, 5-bromo-
    • WDDREAGLVSBXOG-UHFFFAOYSA-N
    • BCP18833
    • STL429890
    • FCH1323108
    • 2,3-Pyridinedicarboxylicacid, 5-bromo-
    • SY047961
    • AX8180115
    • AB0027937
    • W9849
    • BB 025
    • SCHEMBL617721
    • 5-BROMOPYRIDINE-2,3-DICARBOXYLICACID
    • DTXSID40573182
    • MFCD07364745
    • EN300-153270
    • 5-Bromopyridine-2 pound not3-dicarboxylic acid
    • J-517198
    • FT-0683786
    • CS-W009219
    • BB 0257738
    • 98555-51-2
    • AKOS004114717
    • AS-18629
    • AM20061808
    • AC-25215
    • DB-080549
    • ALBB-013878
    • MDL: MFCD07364745
    • Inchi: 1S/C7H4BrNO4/c8-3-1-4(6(10)11)5(7(12)13)9-2-3/h1-2H,(H,10,11)(H,12,13)
    • InChI Key: WDDREAGLVSBXOG-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(C(=O)O)C(C(=O)O)=C1

Computed Properties

  • Exact Mass: 272.96400
  • Monoisotopic Mass: 244.93237g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 233
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.9
  • Topological Polar Surface Area: 87.5

Experimental Properties

  • Density: 1.985
  • Melting Point: 165 oC
  • Boiling Point: 434.7℃ at 760 mmHg
  • Flash Point: 216.691 °C
  • PSA: 65.49000
  • LogP: 1.41730

5-Bromopyridine-2,3-dicarboxylic acid Security Information

  • HazardClass:IRRITANT

5-Bromopyridine-2,3-dicarboxylic acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 5-Bromopyridine-2,3-dicarboxylic acid

Introduction to 5-Bromopyridine-2,3-dicarboxylic acid (CAS No. 98555-51-2)

5-Bromopyridine-2,3-dicarboxylic acid, identified by its Chemical Abstracts Service (CAS) number 98555-51-2, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This heterocyclic compound features a pyridine core substituted with two carboxylic acid groups and a bromine atom, making it a versatile intermediate in the synthesis of various bioactive molecules.

The structure of 5-Bromopyridine-2,3-dicarboxylic acid consists of a six-membered aromatic ring containing nitrogen, which is a key feature for its reactivity and biological activity. The presence of two carboxylic acid functionalities at the 2 and 3 positions enhances its utility as a building block in medicinal chemistry. Additionally, the bromine atom at the 5-position provides a handle for further functionalization via cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are widely employed in the construction of complex molecular architectures.

In recent years, 5-Bromopyridine-2,3-dicarboxylic acid has been extensively studied for its potential applications in drug discovery and material science. Its unique structural motifs have made it a valuable scaffold for designing novel therapeutic agents targeting various diseases. For instance, researchers have explored its derivatives as inhibitors of kinases and other enzymes involved in cancer progression. The pyridine ring serves as a pharmacophore that can interact with biological targets, while the carboxylic acid groups allow for solubility and further derivatization.

One of the most compelling aspects of 5-Bromopyridine-2,3-dicarboxylic acid is its role in the development of metal-organic frameworks (MOFs). MOFs are porous materials composed of metal ions or clusters connected by organic ligands, and they have applications in gas storage, separation, and catalysis. The dicarboxylic acid functionality of this compound makes it an excellent ligand for constructing MOFs with tailored properties. Recent studies have demonstrated the use of 5-Bromopyridine-2,3-dicarboxylic acid to create MOFs with high surface areas and selective binding capabilities for small molecules.

The pharmaceutical industry has also leveraged 5-Bromopyridine-2,3-dicarboxylic acid in the synthesis of antiviral and antibacterial agents. Its structural features allow for the design of molecules that can disrupt viral replication or inhibit bacterial growth. For example, derivatives of this compound have been investigated as potential inhibitors of viral proteases, which are critical enzymes for virus replication. Additionally, its incorporation into drug-like molecules has led to the development of novel antibiotics with improved efficacy against resistant strains.

Another area where 5-Bromopyridine-2,3-dicarboxylic acid has shown promise is in the field of agrochemicals. Researchers have utilized this compound to synthesize new herbicides and pesticides that are more environmentally friendly compared to traditional agrochemicals. The ability to modify its structure allows for the creation of compounds with enhanced selectivity and reduced toxicity to non-target organisms.

The synthesis of 5-Bromopyridine-2,3-dicarboxylic acid typically involves multi-step organic reactions starting from commercially available precursors. One common synthetic route involves the bromination of pyridine followed by carboxylation at the 2 and 3 positions. Advances in synthetic methodologies have improved the efficiency and yield of these reactions, making 5-Bromopyridine-2,3-dicarboxylic acid more accessible for research purposes.

In conclusion,5-Bromopyridine-2,3-dicarboxylic acid (CAS No. 98555-51-2) is a multifunctional compound with broad applications in pharmaceuticals, materials science, and agrochemicals. Its unique structural features make it an invaluable intermediate for synthesizing bioactive molecules and advanced materials. As research continues to uncover new uses for this compound,5-Bromopyridine-2,3-dicarboxylic acid is poised to play an increasingly important role in addressing global challenges in health and sustainability.

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