Cas no 1187164-39-1 (4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine)

4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine is a fluorinated pyridine derivative characterized by its trifluorobenzoyl functional group, which enhances its reactivity and utility in pharmaceutical and agrochemical synthesis. The presence of fluorine atoms at the 3,4,5-positions of the benzoyl moiety contributes to increased lipophilicity and metabolic stability, making it a valuable intermediate for drug development. The methyl substitution at the 4-position of the pyridine ring further modulates electronic properties, facilitating selective transformations. This compound is particularly useful in cross-coupling reactions and as a building block for bioactive molecules. Its well-defined structure and purity ensure consistent performance in synthetic applications.
4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine structure
1187164-39-1 structure
Product Name:4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine
CAS No:1187164-39-1
MF:C13H8F3NO
MW:251.20393371582
MDL:MFCD13153202
CID:4684375
Update Time:2025-10-28

4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine
    • (4-Methylpyridin-3-yl)(3,4,5-trifluorophenyl)methanone
    • MDL: MFCD13153202
    • Inchi: 1S/C13H8F3NO/c1-7-2-3-17-6-9(7)13(18)8-4-10(14)12(16)11(15)5-8/h2-6H,1H3
    • InChI Key: XHRVTPTYCAIDEP-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C=C(C=1)C(C1C=NC=CC=1C)=O)F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 301
  • Topological Polar Surface Area: 30

4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine Pricemore >>

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Additional information on 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine

Professional Introduction to 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine (CAS No: 1187164-39-1)

4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine, a compound with the chemical identifier CAS No: 1187164-39-1, is a specialized organic molecule that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the class of pyridine derivatives, which are widely recognized for their diverse biological activities and potential therapeutic applications. The presence of a methyl group at the 4-position and a trifluorobenzoyl moiety at the 3-position introduces unique electronic and steric properties, making it a valuable scaffold for drug discovery and development.

The structural features of 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine contribute to its remarkable chemical and biological properties. The trifluorobenzoyl group enhances the lipophilicity and metabolic stability of the molecule, while the pyridine ring provides a hydrogen bond acceptor capability, which is crucial for interactions with biological targets. These characteristics make it an attractive candidate for further exploration in the design of novel therapeutic agents.

In recent years, there has been a growing interest in the development of small-molecule inhibitors targeting various disease pathways. Pyridine derivatives have been extensively studied due to their ability to modulate enzyme activity and receptor binding. Specifically, compounds with fluorinated aromatic groups have shown enhanced binding affinity and selectivity, which are critical factors in drug design. The introduction of fluorine atoms into the benzoyl moiety in 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine not only improves its pharmacokinetic properties but also enhances its potential as a lead compound for medicinal chemistry.

Recent research has highlighted the importance of fluorinated pyridines in the development of antiviral and anticancer agents. For instance, studies have demonstrated that fluorinated pyridine derivatives can effectively inhibit viral proteases and kinases by stabilizing the transition state of these enzymes. The structural motif present in 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine aligns well with this trend, suggesting its potential application in combating viral infections. Additionally, its ability to interact with biological targets through hydrogen bonding and hydrophobic interactions makes it a promising candidate for anticancer drug development.

The synthesis of 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and fluorination techniques, have been employed to construct the desired molecular framework efficiently. These synthetic strategies not only enhance the accessibility of the compound but also allow for structural modifications to optimize its biological activity.

The pharmacological profile of 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine has been evaluated through in vitro and in vivo studies. Preliminary results indicate that this compound exhibits significant inhibitory activity against several target enzymes relevant to human diseases. For example, it has shown potent inhibition of certain kinases involved in cancer progression and viral replication. These findings underscore its potential as a therapeutic agent and justify further investigation into its mechanism of action and clinical applicability.

The development of novel drugs is often hampered by issues related to drug resistance and off-target effects. However, the unique structural features of 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine, particularly the trifluorobenzoyl group, offer a promising solution to these challenges. The presence of fluorine atoms can alter electron distribution within the molecule, leading to improved binding affinity and selectivity. This property is particularly valuable in minimizing side effects associated with drug therapy.

In conclusion, 4-Methyl-3-(3,4,5-trifluorobenzoyl)pyridine (CAS No: 1187164-39-1) represents a significant advancement in pharmaceutical chemistry. Its unique structural composition and demonstrated biological activity make it a compelling candidate for further research and development. As our understanding of disease mechanisms continues to evolve, compounds like this one will play a crucial role in shaping the future of medicine.

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