Cas no 54-86-4 (sodium pyridine-3-carboxylate)

Sodium pyridine-3-carboxylate is a sodium salt derivative of nicotinic acid (pyridine-3-carboxylic acid), commonly utilized in organic synthesis and pharmaceutical applications. Its key advantages include high solubility in water and polar solvents, facilitating its use in aqueous reaction systems. The compound serves as a versatile intermediate for the preparation of pharmaceuticals, agrochemicals, and coordination complexes due to its stable ionic form and reactive carboxylate group. Its pyridine moiety also enables chelation with metal ions, making it useful in catalysis and material science. The product is typically supplied as a white crystalline powder with consistent purity, ensuring reliable performance in research and industrial processes.
sodium pyridine-3-carboxylate structure
sodium pyridine-3-carboxylate structure
Product Name:sodium pyridine-3-carboxylate
CAS No:54-86-4
MF:C6H4NNaO2
MW:145.091232299805
MDL:MFCD00064352
CID:81612
PubChem ID:87573482
Update Time:2025-06-08

sodium pyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Sodium nicotinate
    • sodium,pyridine-3-carboxylate
    • 3-Pyridinecarboxylic acid,sodium salt
    • 3-pyridylcarboxylic acid sodium salt
    • EINECS 200-215-1
    • Natriumnicotinat
    • NICOTINIC ACID,SODIUM SALT
    • pyridine-3-carboxylic acid sodium salt
    • Nicotinic Acid Sodium Salt
    • Sodium Pyridine-3-carboxylate
    • Natriumnicotinat [German]
    • 3-Pyridinecarboxylic acid, sodium salt
    • 3ZX78B4Q2L
    • NICOTINIC ACID, SODIUM SALT
    • Nicotinic acid sodium
    • 3-Pyridinecarboxylic acid, sodium salt (1:1)
    • Niacin sodium
    • Niacin Sodium Salt
    • C6H4NO2.Na
    • DSSTox_CID_24955
    • DSSTox_RID_80613
    • DSSTox_GSID_44955
    • KFL
    • DTXSID4044955
    • CHEMBL3183485
    • UNII-3ZX78B4Q2L
    • NICOTINIC ACID SODIUM [WHO-DD]
    • KFLRWGSAMLBHBV-UHFFFAOYSA-M
    • NSC 13125
    • sodium;pyridine-3-carboxylate
    • Tox21_301221
    • EN300-34327
    • D97712
    • NSC-13125
    • N0089
    • DTXCID2024955
    • Nicotinic acid sodium salt, 98%
    • MFCD00064352
    • Q27258269
    • NCGC00256017-01
    • SCHEMBL1551677
    • AS-81726
    • NS00078851
    • 54-86-4
    • CAS-54-86-4
    • FT-0631238
    • AKOS003051494
    • SODIUMNICOTINATE
    • DB-052659
    • sodium pyridine-3-carboxylate
    • MDL: MFCD00064352
    • Inchi: 1S/C6H5NO2.Na/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1
    • InChI Key: KFLRWGSAMLBHBV-UHFFFAOYSA-M
    • SMILES: [Na+].[O-]C(C1C=NC=CC=1)=O

Computed Properties

  • Exact Mass: 145.01400
  • Monoisotopic Mass: 145.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 118
  • 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
  • XLogP3: 0.4
  • Topological Polar Surface Area: 53

Experimental Properties

  • Density: Not available
  • Melting Point: >300℃
  • Boiling Point: Not available
  • Flash Point: Not available
  • PSA: 53.02000
  • LogP: -0.55490
  • Vapor Pressure: Not available

sodium pyridine-3-carboxylate Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315-H319
  • Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S37/39
  • RTECS:QT2060000
  • Hazardous Material Identification: Xi
  • Safety Term:S26-S37/39
  • TSCA:Yes
  • Risk Phrases:R36/37/38
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

sodium pyridine-3-carboxylate 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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sodium pyridine-3-carboxylate Related Literature

Additional information on sodium pyridine-3-carboxylate

Introduction to Sodium Pyridine-3-Carboxylate (CAS No. 54-86-4)

Sodium pyridine-3-carboxylate, with the chemical formula NaC?H?NO?, is a significant compound in the field of pharmaceuticals and chemical research. This compound, identified by its CAS number 54-86-4, has garnered considerable attention due to its versatile applications and structural properties. The pyridine ring in its molecular structure imparts unique reactivity and binding capabilities, making it a valuable intermediate in the synthesis of various bioactive molecules.

The sodium pyridine-3-carboxylate molecule is characterized by a carboxylate group attached to a pyridine ring at the 3-position. This arrangement contributes to its solubility in polar solvents and its ability to participate in multiple chemical reactions, including esterification, amidation, and coordination with metal ions. These properties have positioned it as a key component in the development of pharmaceuticals, agrochemicals, and specialty chemicals.

In recent years, significant research has been conducted on the applications of sodium pyridine-3-carboxylate in medicinal chemistry. Its structural motif is frequently utilized in the design of drugs targeting neurological disorders, infectious diseases, and cancer. For instance, studies have demonstrated its role as a precursor in the synthesis of novel antiviral agents and kinase inhibitors. The compound's ability to act as a chelating agent has also been explored in the development of metal-based anticancer therapies.

One of the most compelling aspects of sodium pyridine-3-carboxylate is its involvement in the synthesis of metal-organic frameworks (MOFs). These frameworks are highly porous materials that have applications in gas storage, separation technologies, and catalysis. The carboxylate groups in sodium pyridine-3-carboxylate serve as ligands that can coordinate with transition metals to form stable and functional MOFs. This has opened up new avenues for research in materials science and industrial applications.

The pharmaceutical industry has also leveraged the unique properties of sodium pyridine-3-carboxylate in drug discovery and development. Researchers have utilized it as a building block for creating peptidomimetics and other bioactive molecules. Its ability to mimic natural amino acids while introducing additional functional groups has been particularly valuable in designing drugs with enhanced pharmacological profiles. Furthermore, its role as a chiral auxiliary has been explored in asymmetric synthesis, contributing to the development of enantiomerically pure drugs.

In addition to its pharmaceutical applications, sodium pyridine-3-carboxylate has found utility in agrochemical formulations. Its derivatives have been investigated as potential herbicides and fungicides due to their ability to interact with biological targets in plants. The compound's stability under various environmental conditions makes it an attractive candidate for use in crop protection products. Moreover, its compatibility with other agrochemicals enhances its effectiveness in formulations designed for sustainable agriculture.

The chemical synthesis of sodium pyridine-3-carboxylate is another area where significant advancements have been made. Modern synthetic methodologies have improved the efficiency and scalability of producing this compound, making it more accessible for industrial applications. Catalytic processes have been developed to minimize waste and energy consumption during production. These innovations align with global efforts to promote green chemistry and sustainable manufacturing practices.

The analytical characterization of sodium pyridine-3-carboxylate has also seen considerable progress. Advanced spectroscopic techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography have provided detailed insights into its molecular structure and interactions. These analytical tools are essential for ensuring the purity and quality of the compound during pharmaceutical manufacturing processes.

The future prospects for sodium pyridine-3-carboxylate are promising, with ongoing research exploring new applications and improving existing ones. The integration of computational chemistry and artificial intelligence is expected to accelerate the discovery of novel derivatives with enhanced properties. Additionally, collaborations between academia and industry are likely to drive innovation in areas such as drug delivery systems and personalized medicine.

In conclusion, sodium pyridine-3-carboxylate (CAS No. 54-86-4) is a multifaceted compound with broad applications across pharmaceuticals, materials science, and agrochemicals. Its unique structural features and reactivity make it a valuable tool for researchers and manufacturers alike. As scientific understanding continues to evolve, the potential uses for this compound are expected to expand further, reinforcing its importance in modern chemistry.

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