Cas no 1227575-51-0 (Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate)

Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate is a fluorinated pyridine derivative with significant utility in pharmaceutical and agrochemical synthesis. The presence of both chloro and trifluoromethyl substituents on the isonicotinate scaffold enhances its reactivity, making it a versatile intermediate for cross-coupling reactions and further functionalization. The ethyl ester group improves solubility in organic solvents, facilitating downstream modifications. This compound is particularly valuable in the development of bioactive molecules due to its ability to introduce trifluoromethyl groups, which can enhance metabolic stability and lipophilicity. Its well-defined structure and high purity ensure consistent performance in synthetic applications, supporting research in medicinal chemistry and crop protection.
Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate structure
1227575-51-0 structure
Product Name:Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate
CAS No:1227575-51-0
MF:C9H7ClF3NO2
MW:253.605592012405
CID:4689163
Update Time:2025-11-01

Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-chloro-3-(trifluoromethyl)isonicotinate
    • AX8338350
    • Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate
    • Inchi: 1S/C9H7ClF3NO2/c1-2-16-8(15)5-3-4-14-7(10)6(5)9(11,12)13/h3-4H,2H2,1H3
    • InChI Key: LSUBMRFRZDJVGX-UHFFFAOYSA-N
    • SMILES: ClC1C(C(F)(F)F)=C(C(=O)OCC)C=CN=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 260
  • Topological Polar Surface Area: 39.2

Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
2007820-1g
Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate
1227575-51-0 97%
1g
¥5532.00 2024-08-09

Additional information on Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate

Comprehensive Overview of Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate (CAS No. 1227575-51-0)

Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate (CAS No. 1227575-51-0) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. Its unique molecular structure, featuring a chloro and trifluoromethyl substituent on the pyridine ring, makes it a valuable intermediate in the synthesis of bioactive molecules. Researchers and industries are increasingly interested in this compound due to its potential applications in drug discovery and crop protection formulations.

The growing demand for fluorinated compounds in modern chemistry has positioned Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate as a key building block. Fluorine incorporation often enhances metabolic stability and bioavailability, making it a hotspot in medicinal chemistry. Recent trends in AI-driven drug design and high-throughput screening have further amplified the relevance of such structurally diverse intermediates. This compound aligns with the industry's shift toward sustainable synthetic routes and green chemistry principles.

From a synthetic perspective, CAS 1227575-51-0 demonstrates remarkable versatility. It serves as a precursor for heterocyclic derivatives, which are pivotal in developing kinase inhibitors and antimicrobial agents. The ethyl ester moiety offers additional flexibility for further functionalization, catering to the needs of custom synthesis and structure-activity relationship (SAR) studies. These attributes make it a frequent subject in patent literature and academic publications.

In agrochemical applications, the trifluoromethyl group in Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate contributes to the development of novel pesticides with improved efficacy and environmental profiles. The compound's role in crop protection research reflects the broader industry focus on precision agriculture and resistance management. Its compatibility with catalytic transformations also supports the trend toward atom-efficient synthesis.

Quality and purity are critical for CAS 1227575-51-0, especially given its use in GMP-compliant processes. Analytical techniques like HPLC, NMR, and mass spectrometry ensure batch-to-batch consistency, addressing the stringent requirements of pharmaceutical intermediates. Suppliers often highlight its storage stability and compatibility with low-temperature reactions, which are essential for industrial scalability.

The future prospects of Ethyl 2-chloro-3-(trifluoromethyl)isonicotinate are closely tied to advancements in fluorination methodologies and catalysis. As the scientific community explores new chemical spaces, this compound is poised to play a pivotal role in fragment-based drug discovery and multi-component reactions. Its relevance in bioisostere design further underscores its importance in modern R&D pipelines.

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