Cas no 1620-71-9 (5-Methyl-2-(trifluoromethyl)pyridine)

5-Methyl-2-(trifluoromethyl)pyridine is a fluorinated pyridine derivative characterized by its trifluoromethyl and methyl substituents at the 2- and 5-positions, respectively. This compound is valued for its electron-withdrawing properties and structural stability, making it a versatile intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl group enhances lipophilicity and metabolic resistance, while the methyl group contributes to steric and electronic modulation. Its reactivity allows for further functionalization, enabling applications in cross-coupling reactions and heterocyclic chemistry. The compound is typically supplied as a high-purity liquid or solid, ensuring consistency in research and industrial processes. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
5-Methyl-2-(trifluoromethyl)pyridine structure
1620-71-9 structure
Product Name:5-Methyl-2-(trifluoromethyl)pyridine
CAS No:1620-71-9
MF:C7H6F3N
MW:161.124452114105
MDL:MFCD07774131
CID:850451
PubChem ID:14422791
Update Time:2025-10-20

5-Methyl-2-(trifluoromethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-2-(trifluoromethyl)pyridine
    • CHEMPACIFIC 38184
    • 5-METHYL-2-TRIFLUOROMETHYL-PYRIDINE
    • Pyridine, 5-methyl-2-(trifluoromethyl)-
    • 5-methyl-2-trifluoromethylpyridine
    • HALCBPJUGWBVBU-UHFFFAOYSA-N
    • 8203AA
    • 2-(Trifluoromethyl)-5-methylpyridine
    • ST2406312
    • MFCD07774131
    • SY033950
    • 1620-71-9
    • SCHEMBL130934
    • SB52946
    • CS-W022411
    • ZFJBOQMVXPQVTM-UHFFFAOYSA-N
    • AKOS006284637
    • HALCBPJUGWBVBU-UHFFFAOYSA-O
    • DTXSID00560114
    • DS-15071
    • MDL: MFCD07774131
    • Inchi: 1S/C7H6F3N/c1-5-2-3-6(11-4-5)7(8,9)10/h2-4H,1H3
    • InChI Key: HALCBPJUGWBVBU-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(C)=CN=1)(F)F

Computed Properties

  • Exact Mass: 161.04500
  • Monoisotopic Mass: 161.04523368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 132
  • 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: 12.9
  • XLogP3: 2.1

Experimental Properties

  • Boiling Point: 147.2℃ at 760 mmHg
  • PSA: 12.89000
  • LogP: 2.40880

5-Methyl-2-(trifluoromethyl)pyridine Pricemore >>

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5-Methyl-2-(trifluoromethyl)pyridine Related Literature

Additional information on 5-Methyl-2-(trifluoromethyl)pyridine

Professional Introduction to 5-Methyl-2-(trifluoromethyl)pyridine (CAS No. 1620-71-9)

5-Methyl-2-(trifluoromethyl)pyridine, with the chemical formula C?H?F?N, is a fluorinated pyridine derivative that has garnered significant attention in the field of pharmaceutical and agrochemical research due to its versatile structural properties and potential biological activities. This compound, identified by its CAS number 1620-71-9, represents a cornerstone in the synthesis of novel molecules targeting various therapeutic areas. The presence of both a methyl group and a trifluoromethyl substituent in the pyridine ring imparts unique electronic and steric characteristics, making it a valuable scaffold for drug discovery.

The significance of 5-Methyl-2-(trifluoromethyl)pyridine lies in its ability to serve as a key intermediate in the development of bioactive molecules. Fluorinated pyridines are widely recognized for their enhanced metabolic stability, improved binding affinity, and altered pharmacokinetic profiles when incorporated into drug candidates. The trifluoromethyl group, in particular, is known to increase lipophilicity and binding interactions with biological targets, while the methyl group contributes to steric hindrance and molecular rigidity. These attributes make 5-Methyl-2-(trifluoromethyl)pyridine an indispensable building block in medicinal chemistry.

Recent advancements in the synthesis of fluorinated heterocycles have further highlighted the importance of 5-Methyl-2-(trifluoromethyl)pyridine. Modern synthetic methodologies have enabled more efficient and scalable production processes, allowing researchers to explore its applications in greater depth. For instance, transition-metal-catalyzed cross-coupling reactions have been optimized to introduce fluorinated pyridines into complex molecular architectures with high precision. These developments have not only facilitated the rapid discovery of new compounds but also opened up avenues for exploring novel therapeutic mechanisms.

In the realm of pharmaceutical research, 5-Methyl-2-(trifluoromethyl)pyridine has been extensively studied for its potential as a precursor in the development of small-molecule inhibitors targeting enzymes involved in critical biological pathways. Pyridine derivatives are particularly relevant in this context, as they often exhibit strong binding interactions with protein targets such as kinases, proteases, and transcription factors. The incorporation of fluorine atoms into these molecules can modulate their pharmacological properties, leading to improved efficacy and reduced side effects. For example, recent studies have demonstrated the utility of 5-Methyl-2-(trifluoromethyl)pyridine in designing inhibitors of Janus kinases (JAKs), which play a pivotal role in inflammatory responses and autoimmune diseases.

The agrochemical industry has also recognized the value of 5-Methyl-2-(trifluoromethyl)pyridine as a key intermediate in the synthesis of advanced pesticides and herbicides. Fluorinated pyridines are known to enhance the stability and bioavailability of agrochemicals, ensuring their effectiveness in controlling pests and weeds. Researchers have leveraged the structural flexibility of 5-Methyl-2-(trifluoromethyl)pyridine to develop novel compounds with improved environmental profiles while maintaining high efficacy. This aligns with global efforts to create sustainable agricultural solutions that minimize ecological impact.

The exploration of 5-Methyl-2-(trifluoromethyl)pyridine extends beyond its direct applications into more complex derivatives. Functional groups such as halogens, alcohols, and amines can be strategically introduced to tailor the properties of resulting molecules for specific applications. Advanced computational techniques, including molecular modeling and quantum mechanics simulations, have been instrumental in predicting the behavior of these derivatives before experimental synthesis. This interdisciplinary approach has accelerated the drug discovery process by enabling researchers to rationally design molecules with desired characteristics.

The safety and regulatory aspects of working with 5-Methyl-2-(trifluoromethyl)pyridine are also critical considerations. While this compound is not classified as a hazardous material under standard regulatory frameworks, proper handling procedures must be followed to ensure worker safety and environmental protection. Good laboratory practices (GLPs) recommend using personal protective equipment (PPE), such as gloves and lab coats, when handling this substance. Additionally, storage conditions should be optimized to prevent degradation or contamination.

The future prospects for 5-Methyl-2-(trifluoromethyl)pyridine remain promising as research continues to uncover new applications and synthetic strategies. Innovations in flow chemistry and continuous manufacturing are expected to further streamline its production, making it more accessible for industrial applications. Furthermore, collaborations between academia and industry will continue to drive innovation by combining expertise from different disciplines.

In conclusion,5-Methyl-2-(trifluoromethyl)pyridine (CAS No. 1620-71-9) is a multifaceted compound with significant potential across pharmaceuticals and agrochemicals. Its unique structural features make it an ideal candidate for developing bioactive molecules with enhanced properties. As research progresses,this compound will undoubtedly continue to play a pivotal role in advancing scientific understanding and technological innovation.

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