Cas no 5860-70-8 (2-carbamoylpyridine-3-carboxylic acid)

2-Carbamoylpyridine-3-carboxylic acid is a versatile heterocyclic compound featuring both a carbamoyl and a carboxylic acid functional group on a pyridine scaffold. This structure lends the molecule utility as a key intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients and fine chemicals. Its dual functional groups enable selective derivatization, facilitating the creation of amides, esters, and other derivatives. The compound exhibits good stability under standard conditions, ensuring reliable handling and storage. Its high purity and well-defined reactivity make it suitable for research and industrial applications, including medicinal chemistry and material science.
2-carbamoylpyridine-3-carboxylic acid structure
5860-70-8 structure
Product Name:2-carbamoylpyridine-3-carboxylic acid
CAS No:5860-70-8
MF:C7H6N2O3
MW:166.13414144516
MDL:MFCD00111707
CID:371109
PubChem ID:258810
Update Time:2025-10-21

2-carbamoylpyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Carbamoylnicotinic acid
    • 2-(Aminocarbonyl)nicotinic acid
    • 2-carbamoylpyridine-3-carboxylic acid
    • 3-Pyridinecarboxylicacid, 2-(aminocarbonyl)-
    • 2-carbamoyl-nicotinic acid
    • 2-Carbamoyl-nicotinsaeure
    • 2-carbamylnicotinic acid
    • pyridine-2-carboxamide-3-carboxylic acid
    • AS-60656
    • FT-0687906
    • DIABIDLZBNRSPR-UHFFFAOYSA-N
    • NSC88139
    • AC-14843
    • 2-(carbamoyl)nicotinic acid
    • MFCD00111707
    • SR-01000634545-1
    • Z1142648247
    • J-506193
    • 5860-70-8
    • W10225
    • DTXSID50293263
    • CHEMBL451946
    • Oprea1_544451
    • SCHEMBL939161
    • 2-Carbamoylnicotinicacid
    • AJ-333/25022014
    • 2-(AMINOCARBONYL)NICOTINICACID
    • NSC-88139
    • EN300-135530
    • CS-0038686
    • HMS546G20
    • CCG-44729
    • AKOS012925146
    • 2-carbamoyl nicotinic acid
    • Maybridge1_001736
    • Pyridindicarbonsaureamide
    • MDL: MFCD00111707
    • Inchi: 1S/C7H6N2O3/c8-6(10)5-4(7(11)12)2-1-3-9-5/h1-3H,(H2,8,10)(H,11,12)
    • InChI Key: DIABIDLZBNRSPR-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CN=C1C(N)=O)=O

Computed Properties

  • Exact Mass: 166.03800
  • Monoisotopic Mass: 166.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 205
  • 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: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 93.3A^2

Experimental Properties

  • Density: 1.458
  • Boiling Point: 440.6°Cat760mmHg
  • Flash Point: 220.3°C
  • Refractive Index: 1.623
  • PSA: 93.28000
  • LogP: 0.57900

2-carbamoylpyridine-3-carboxylic acid Security Information

2-carbamoylpyridine-3-carboxylic 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 2-carbamoylpyridine-3-carboxylic acid

2-Carbamoylpyridine-3-Carboxylic Acid: A Comprehensive Overview

2-Carbamoylpyridine-3-carboxylic acid, also known by its CAS number 5860-70-8, is a significant compound in the field of organic chemistry. This compound, characterized by its unique structure featuring a pyridine ring with substituents at the 2 and 3 positions, has garnered attention due to its potential applications in various scientific domains. The molecule consists of a pyridine ring with a carbamoyl group (-CONH2) attached at the 2-position and a carboxylic acid group (-COOH) at the 3-position. This combination of functional groups imparts distinctive chemical properties, making it a subject of interest for researchers and industry professionals alike.

The synthesis of 2-carbamoylpyridine-3-carboxylic acid typically involves multi-step organic reactions, often utilizing intermediates such as pyridine derivatives. Recent advancements in synthetic methodologies have enabled more efficient and scalable production of this compound, which is crucial for its potential large-scale applications. The compound's solubility, stability, and reactivity are key factors that influence its suitability for various chemical processes.

In terms of physical properties, 2-carbamoylpyridine-3-carboxylic acid exhibits a melting point of approximately 195°C and is sparingly soluble in water but dissolves readily in polar organic solvents such as dimethylformamide (DMF) and acetonitrile. These properties make it amenable for use in solution-based reactions and formulations. The compound's UV-vis spectrum shows strong absorption bands due to the conjugated system within the pyridine ring, which is advantageous for applications in optoelectronics and sensing technologies.

The biological activity of 2-carbamoylpyridine-3-carboxylic acid has been explored in recent studies, particularly in the context of its potential as a pharmacological agent. Research indicates that this compound exhibits moderate inhibitory effects on certain enzymes, suggesting its role as a lead molecule in drug discovery programs. Additionally, its ability to form stable complexes with metal ions has led to investigations into its use as a chelating agent in medical imaging and therapy.

In the realm of materials science, 2-carbamoylpyridine-3-carboxylic acid has been employed as a building block for constructing coordination polymers and metal-organic frameworks (MOFs). These materials exhibit high surface areas and porosity, making them promising candidates for gas storage, catalysis, and separation technologies. Recent breakthroughs in MOF synthesis have highlighted the importance of functional groups like those present in this compound for achieving desired material properties.

The environmental impact of 2-carbamoylpyridine-3-carboxylic acid is another area of growing interest. Studies have assessed its biodegradability and toxicity profiles, revealing that under aerobic conditions, the compound undergoes microbial degradation through hydrolysis and oxidation pathways. These findings are critical for ensuring sustainable practices in its production, handling, and disposal.

In conclusion, 2-carbamoylpyridine-3-carboxylic acid, with its unique chemical structure and versatile functional groups, continues to be a focal point in diverse research areas. From drug discovery to materials science, this compound's potential applications are vast and continually expanding with advancements in chemical research. As scientists delve deeper into understanding its properties and optimizing its synthesis pathways, the significance of this compound in both academic and industrial settings is expected to grow further.

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