Cas no 261635-83-0 (6-Chloro-2-(trifluoromethyl)nicotinic acid)

6-Chloro-2-(trifluoromethyl)nicotinic acid is a fluorinated nicotinic acid derivative with significant utility in pharmaceutical and agrochemical synthesis. Its key structural features—a chloro substituent at the 6-position and a trifluoromethyl group at the 2-position—enhance its reactivity and stability, making it a versatile intermediate for heterocyclic compound formation. The trifluoromethyl group imparts electron-withdrawing properties, facilitating nucleophilic substitution reactions, while the chloro group offers further functionalization potential. This compound is particularly valued in the development of bioactive molecules due to its ability to modulate physicochemical properties such as lipophilicity and metabolic stability. Its high purity and consistent performance make it suitable for precision applications in medicinal chemistry and crop protection research.
6-Chloro-2-(trifluoromethyl)nicotinic acid structure
261635-83-0 structure
Product Name:6-Chloro-2-(trifluoromethyl)nicotinic acid
CAS No:261635-83-0
MF:C7H3ClF3NO2
MW:225.552431344986
MDL:MFCD11840271
CID:252965
PubChem ID:11436062
Update Time:2025-06-13

6-Chloro-2-(trifluoromethyl)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Chloro-2-(trifluoromethyl)nicotinic acid
    • 3-PYRIDINECARBOXYLICACID, 6-CHLORO-2-(TRIFLUOROMETHYL)
    • 3-Pyridinecarboxylicacid, 6-chloro-2-(trifluoromethyl)-
    • LogP
    • 6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid
    • 3-Pyridinecarboxylic acid, 6-chloro-2-(trifluoromethyl)-
    • SBB052957
    • EBD150561
    • 2248AB
    • NE41294
    • AK101621
    • 2-(Trifluoromethyl)-6-chloropyridine-3-carboxylic acid
    • Z1815157351
    • NL-0038
    • SY110200
    • EN300-132728
    • 261635-83-0
    • SCHEMBL1267198
    • S10304
    • MFCD11840271
    • AMY6608
    • 3-Pyridinecarboxylicacid,6-chloro-2-(trifluoromethyl)-
    • AKOS016003915
    • Z1269215958
    • UDYRRHUXOXTWBD-UHFFFAOYSA-N
    • 6-chloro-2-(trifluoromethyl)nicotinicacid
    • CS-W000652
    • DTXSID40465811
    • DB-333395
    • MDL: MFCD11840271
    • Inchi: 1S/C7H3ClF3NO2/c8-4-2-1-3(6(13)14)5(12-4)7(9,10)11/h1-2H,(H,13,14)
    • InChI Key: UDYRRHUXOXTWBD-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=O)O)C(C(F)(F)F)=N1

Computed Properties

  • Exact Mass: 224.98049
  • Monoisotopic Mass: 224.9804405g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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
  • Topological Polar Surface Area: 50.2
  • XLogP3: 2.3

Experimental Properties

  • PSA: 50.19

6-Chloro-2-(trifluoromethyl)nicotinic acid Pricemore >>

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Additional information on 6-Chloro-2-(trifluoromethyl)nicotinic acid

Introduction to 6-Chloro-2-(trifluoromethyl)nicotinic Acid (CAS No: 261635-83-0)

6-Chloro-2-(trifluoromethyl)nicotinic acid, identified by its Chemical Abstracts Service (CAS) number 261635-83-0, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to the nicotinic acid family, which is well-known for its diverse biological activities and applications. The presence of both chloro and trifluoromethyl substituents in its molecular structure endows it with unique chemical properties, making it a valuable intermediate in the synthesis of various bioactive molecules.

The structural features of 6-Chloro-2-(trifluoromethyl)nicotinic acid make it a promising candidate for further derivatization and functionalization. The chloro group at the sixth position and the trifluoromethyl group at the second position contribute to its reactivity and stability, enabling its use in multiple synthetic pathways. In recent years, there has been a growing interest in exploring the potential of this compound in drug discovery and development, particularly due to its ability to interact with biological targets in novel ways.

One of the most compelling aspects of 6-Chloro-2-(trifluoromethyl)nicotinic acid is its role as a precursor in the synthesis of pharmacologically active agents. Researchers have leveraged its structural framework to develop compounds with enhanced efficacy and reduced side effects. For instance, derivatives of this molecule have been investigated for their potential anti-inflammatory, antiviral, and anticancer properties. The trifluoromethyl group, in particular, is known to improve metabolic stability and binding affinity to biological targets, which are critical factors in drug design.

Recent advancements in computational chemistry and molecular modeling have further highlighted the significance of 6-Chloro-2-(trifluoromethyl)nicotinic acid. These techniques have enabled scientists to predict the behavior of this compound in complex biological systems with high accuracy. By integrating experimental data with computational methods, researchers can optimize synthetic routes and predict the biological activity of derivatives more efficiently. This interdisciplinary approach has opened new avenues for exploring the therapeutic potential of 6-Chloro-2-(trifluoromethyl)nicotinic acid.

In addition to its pharmaceutical applications, 6-Chloro-2-(trifluoromethyl)nicotinic acid has also shown promise in agrochemical research. Its structural motifs are similar to those found in herbicides and pesticides, which are designed to interact selectively with biological targets in plants. By modifying its chemical structure, scientists can develop novel compounds that offer improved crop protection while minimizing environmental impact. This aligns with the growing demand for sustainable agricultural practices worldwide.

The synthesis of 6-Chloro-2-(trifluoromethyl)nicotinic acid involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies, such as cross-coupling reactions and palladium-catalyzed transformations, have been employed to achieve high yields and purity. These techniques are essential for producing sufficient quantities of the compound for further research and development. The efficiency of these synthetic processes is crucial for translating laboratory discoveries into practical applications.

The pharmacological profile of 6-Chloro-2-(trifluoromethyl)nicotinic acid continues to be an area of active investigation. Studies have demonstrated its ability to modulate various biological pathways by interacting with enzymes and receptors involved in disease processes. For example, derivatives of this compound have been shown to inhibit key enzymes implicated in inflammation and oxidative stress, which are hallmark features of many chronic diseases. Such findings underscore its potential as a lead compound for developing new therapeutic agents.

Moreover, the environmental impact of synthesizing and using 6-Chloro-2-(trifluoromethyl)nicotinic acid is an important consideration. Researchers are increasingly focusing on green chemistry principles to minimize waste and reduce hazardous byproducts during production. By adopting sustainable synthetic strategies, scientists can ensure that the development of this compound aligns with global efforts to promote environmental responsibility.

In conclusion, 6-Chloro-2-(trifluoromethyl)nicotinic acid (CAS No: 261635-83-0) represents a significant advancement in chemical research with far-reaching implications for medicine and agriculture. Its unique structural features, combined with recent innovations in synthetic chemistry and drug discovery, position it as a versatile building block for developing novel bioactive molecules. As research progresses, we can expect further insights into its therapeutic potential and applications across multiple disciplines.

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