Cas no 1031619-96-1 (N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine)

N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine is a specialized pyridine derivative featuring a chloro-substituted trifluoromethyl group and a cyclopropylamine moiety. This compound is of significant interest in agrochemical and pharmaceutical research due to its structural properties, which contribute to enhanced reactivity and selectivity in synthesis. The trifluoromethyl group improves metabolic stability and lipophilicity, while the chloro substitution offers versatility in further functionalization. Its cyclopropylamine component may influence conformational rigidity, potentially enhancing binding affinity in target interactions. This compound serves as a valuable intermediate in the development of novel active ingredients, particularly in crop protection and medicinal chemistry applications.
N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine structure
1031619-96-1 structure
Product Name:N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine
CAS No:1031619-96-1
MF:C9H8ClF3N2
MW:236.621431350708
MDL:MFCD11117304
CID:2952665
Update Time:2025-05-19

N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine Chemical and Physical Properties

Names and Identifiers

    • 3-氯-N-環(huán)丙基-5-(三氟甲基)吡啶-2-胺
    • 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
    • N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylamine
    • 3-Chloro-2-(cyclopropylamino)-5-(trifluoromethyl)pyridine
    • HMS3437I11
    • AM86228
    • N10131
    • Z31232839
    • N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine
    • MDL: MFCD11117304
    • Inchi: 1S/C9H8ClF3N2/c10-7-3-5(9(11,12)13)4-14-8(7)15-6-1-2-6/h3-4,6H,1-2H2,(H,14,15)
    • InChI Key: TZSCHGJUVRRQMA-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C(F)(F)F)=CN=C1NC1CC1

Computed Properties

  • Exact Mass: 236.03281g/mol
  • Monoisotopic Mass: 236.03281g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 230
  • 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
  • Molecular Weight: 236.62g/mol
  • XLogP3: 3.2
  • Topological Polar Surface Area: 24.9

N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine Pricemore >>

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Additional information on N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine

Introduction to N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine (CAS No. 1031619-96-1)

N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine (CAS No. 1031619-96-1) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical research and development. This compound, characterized by its complex molecular structure, exhibits a unique combination of chemical properties that make it a promising candidate for various applications in medicinal chemistry. The presence of both chloro and trifluoromethyl substituents on the pyridine ring, along with the cyclopropylamine side chain, contributes to its distinct reactivity and potential biological activity.

The chemical structure of N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine is highly intriguing from a synthetic chemistry perspective. The trifluoromethyl group, known for its electron-withdrawing properties, can significantly influence the electronic distribution of the molecule, thereby affecting its interaction with biological targets. Additionally, the chloro substituent provides a site for further functionalization, allowing chemists to explore diverse derivatization strategies. These features make the compound a versatile building block for designing novel pharmacophores.

In recent years, there has been a growing interest in developing small-molecule inhibitors targeting various enzymes and receptors involved in critical biological pathways. N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine has been identified as a potential lead compound in this context due to its structural motifs that are commonly found in active pharmaceutical ingredients (APIs). The cyclopropylamine moiety, in particular, has shown promise in enhancing binding affinity and selectivity in drug candidates.

One of the most compelling aspects of N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine is its potential application in the development of treatments for neurological disorders. Preliminary studies have suggested that compounds with similar structural features may interact with neurotransmitter receptors, offering a new avenue for therapeutic intervention. The trifluoromethyl group's ability to modulate receptor binding affinities has been particularly noted in research involving GABA receptor modulators, which are crucial for managing conditions such as anxiety and epilepsy.

The synthesis of N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine presents both challenges and opportunities for synthetic chemists. The need for precise control over reaction conditions to achieve high yields and purity is paramount. Advanced synthetic methodologies, including transition metal-catalyzed cross-coupling reactions and palladium-mediated transformations, have been employed to construct the desired molecular framework efficiently. These approaches not only enhance synthetic efficiency but also open up new possibilities for structural diversification.

The pharmacokinetic properties of N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine are another area of active investigation. Understanding how this compound is absorbed, distributed, metabolized, and excreted (ADME) is essential for optimizing its therapeutic potential. Computational modeling techniques have been increasingly utilized to predict ADME profiles, allowing researchers to design analogs with improved pharmacokinetic properties before conducting costly experimental studies.

In conclusion, N-3-Chloro-5-(trifluoromethyl)-2-pyridinyl-N-cyclopropylamine represents a fascinating compound with significant potential in pharmaceutical research. Its unique structural features and promising biological activities make it a valuable tool for developing new drugs targeting various diseases. As research continues to uncover new applications and synthetic strategies, this compound is poised to play a crucial role in the advancement of medicinal chemistry.

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