Cas no 773109-19-6 (3-Pyridinecarboxylicacid, 2,5,6-trifluoro-)

3-Pyridinecarboxylicacid, 2,5,6-trifluoro- structure
773109-19-6 structure
Product Name:3-Pyridinecarboxylicacid, 2,5,6-trifluoro-
CAS No:773109-19-6
MF:C6H2F3NO2
MW:177.080791950226
MDL:MFCD04973022
CID:551968
PubChem ID:53416173
Update Time:2025-11-02

3-Pyridinecarboxylicacid, 2,5,6-trifluoro- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid, 2,5,6-trifluoro-
    • 2,5,6-Trifluoronicotinic acid
    • 2,5,6-Trifluoro-nicotinic acid
    • 2,5,6-trifluoropyridine-3-carboxylic acid
    • 2,6-difluoro-5-fluoronicotinic acid
    • AG-H-09090
    • CTK2H5992
    • KB-165989
    • SureCN3963655
    • MFCD04973022
    • SCHEMBL3963655
    • 2,5,6-TRIFLUORONICOTINICACID
    • SB55092
    • A901163
    • ExcisaninB
    • AMY6340
    • DTXSID30697129
    • 773109-19-6
    • CS-0455584
    • MDL: MFCD04973022
    • Inchi: 1S/C6H2F3NO2/c7-3-1-2(6(11)12)4(8)10-5(3)9/h1H,(H,11,12)
    • InChI Key: PSLBDVQUNRNSSA-UHFFFAOYSA-N
    • SMILES: FC1C(C(=O)O)=CC(=C(N=1)F)F

Computed Properties

  • Exact Mass: 177.00376
  • Monoisotopic Mass: 177.004
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 190
  • 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
  • XLogP3: 1.3
  • Topological Polar Surface Area: 50.2A^2

Experimental Properties

  • PSA: 50.19

3-Pyridinecarboxylicacid, 2,5,6-trifluoro- Pricemore >>

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Additional information on 3-Pyridinecarboxylicacid, 2,5,6-trifluoro-

Comprehensive Overview of 3-Pyridinecarboxylicacid, 2,5,6-trifluoro- (CAS No. 773109-19-6): Properties, Applications, and Industry Relevance

3-Pyridinecarboxylicacid, 2,5,6-trifluoro- (CAS No. 773109-19-6) is a fluorinated derivative of nicotinic acid, a compound of significant interest in pharmaceutical and agrochemical research. The introduction of fluorine atoms at the 2,5,6-positions of the pyridine ring enhances its electronic properties, making it a valuable intermediate in the synthesis of bioactive molecules. This compound is particularly notable for its role in the development of fluorinated pharmaceuticals, where fluorine substitution often improves metabolic stability and bioavailability.

In recent years, the demand for fluorinated pyridine derivatives has surged due to their applications in drug discovery and material science. Researchers are increasingly focusing on CAS No. 773109-19-6 as a building block for small-molecule inhibitors and catalysts. Its unique structural features, including the electron-withdrawing effects of fluorine, make it a versatile candidate for designing compounds with tailored properties. For instance, it has been explored in the development of kinase inhibitors and antibacterial agents, addressing pressing global health challenges.

The synthesis of 3-Pyridinecarboxylicacid, 2,5,6-trifluoro- typically involves multi-step reactions, including halogenation and carboxylation processes. Advanced techniques such as flow chemistry and microwave-assisted synthesis have been employed to optimize yield and purity, reflecting the growing emphasis on sustainable and efficient methodologies. These innovations align with the industry's shift toward green chemistry, a topic widely discussed in academic and industrial forums.

From an analytical perspective, CAS No. 773109-19-6 is characterized using techniques like NMR spectroscopy, HPLC, and mass spectrometry. These methods ensure precise identification and quality control, critical for its integration into high-value applications. The compound's stability under various conditions has also been a subject of study, particularly for researchers investigating its suitability for long-term storage or formulation.

Beyond pharmaceuticals, 2,5,6-trifluoro-3-pyridinecarboxylic acid has potential applications in electronic materials. Fluorinated aromatic compounds are known for their use in organic semiconductors and liquid crystals, where they contribute to improved charge transport and thermal stability. This dual utility in life sciences and advanced materials underscores the compound's interdisciplinary relevance.

As the scientific community continues to explore fluorine chemistry, compounds like 3-Pyridinecarboxylicacid, 2,5,6-trifluoro- are poised to play a pivotal role. Its compatibility with modern high-throughput screening platforms and computational modeling tools further enhances its appeal. For those seeking detailed protocols or safety data, reputable chemical databases and peer-reviewed journals remain indispensable resources.

In summary, CAS No. 773109-19-6 represents a convergence of innovation and practicality, bridging gaps between synthetic chemistry and applied sciences. Its growing prominence in research publications and patent filings highlights its potential to address unmet needs in healthcare and technology, making it a compound worthy of continued investigation.

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