Cas no 484654-49-1 (2-(4-pyridyl)cyclopropanecarboxylic acid)

2-(4-Pyridyl)cyclopropanecarboxylic acid is a versatile cyclopropane derivative featuring a pyridine ring at the 4-position, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its rigid cyclopropane scaffold and functional carboxylic acid group enable precise structural modifications, facilitating applications in ligand design, medicinal chemistry, and materials science. The pyridyl moiety enhances binding affinity in coordination complexes and bioactive molecules. This compound exhibits high stability and compatibility with various reaction conditions, making it suitable for cross-coupling, cycloaddition, and other transformations. Its well-defined structure and synthetic utility make it a preferred choice for researchers developing novel heterocyclic compounds or probing structure-activity relationships.
2-(4-pyridyl)cyclopropanecarboxylic acid structure
484654-49-1 structure
Product Name:2-(4-pyridyl)cyclopropanecarboxylic acid
CAS No:484654-49-1
MF:C9H9NO2
MW:163.173262357712
MDL:MFCD11934489
CID:2133811
PubChem ID:43810285
Update Time:2025-10-25

2-(4-pyridyl)cyclopropanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-pyridinyl)Cyclopropanecarboxylic acid
    • 2-(4-pyridyl)cyclopropanecarboxylic acid
    • 2-Pyridin-4-yl-cyclopropanecarboxylic acid
    • 2-(pyridin-4-yl)cyclopropanecarboxylic acid
    • DB-070931
    • 1821719-41-8
    • DTXSID301265650
    • SY280093
    • SCHEMBL1017425
    • TRANS-2-(PYRIDIN-4-YL)CYCLOPROPANECARBOXYLIC ACID
    • YFOFMIZNXREQAS-UHFFFAOYSA-N
    • MFCD11934489
    • 801149-24-6
    • EN300-58874
    • 2-(pyridin-4-yl)cyclopropanecarboxylicacid
    • SB54671
    • BHB14924
    • rac-(1R,2R)-2-(Pyridin-4-yl)cyclopropane-1-carboxylic acid
    • 2-(pyridin-4-yl)cyclopropane-1-carboxylic acid
    • F52568
    • 484654-49-1
    • 2-pyridin-4-ylcyclopropane-1-carboxylic acid
    • (1S,2S)-2-(Pyridin-4-yl)cyclopropane-1-carboxylic acid
    • AS-79708
    • AKOS005217114
    • MDL: MFCD11934489
    • Inchi: 1S/C9H9NO2/c11-9(12)8-5-7(8)6-1-3-10-4-2-6/h1-4,7-8H,5H2,(H,11,12)
    • InChI Key: YFOFMIZNXREQAS-UHFFFAOYSA-N
    • SMILES: OC(C1CC1C1C=CN=CC=1)=O

Computed Properties

  • Exact Mass: 163.063328530g/mol
  • Monoisotopic Mass: 163.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 187
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 50.2?2

2-(4-pyridyl)cyclopropanecarboxylic acid Pricemore >>

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Additional information on 2-(4-pyridyl)cyclopropanecarboxylic acid

Introduction to 2-(4-pyridyl)cyclopropanecarboxylic acid (CAS No. 484654-49-1)

2-(4-pyridyl)cyclopropanecarboxylic acid, identified by its Chemical Abstracts Service (CAS) number 484654-49-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the class of heterocyclic carboxylic acids, featuring a cyclopropane ring fused with a pyridine moiety. The unique structural configuration of this molecule makes it a promising candidate for further exploration in drug discovery and molecular research.

The cyclopropane ring, a three-membered carbon structure, is known for its high reactivity and strain energy, which can be exploited in the design of bioactive molecules. When combined with the electron-deficient pyridine ring, the resulting compound exhibits a rich interplay of electronic and steric effects that can modulate its interactions with biological targets. This combination has been particularly intriguing for researchers seeking to develop novel therapeutic agents with enhanced binding affinity and selectivity.

In recent years, there has been a surge in interest regarding the pharmacological potential of 2-(4-pyridyl)cyclopropanecarboxylic acid. Its structural features suggest that it may interact with various biological receptors and enzymes, making it a versatile scaffold for drug development. For instance, studies have indicated that derivatives of this compound could exhibit inhibitory activity against certain enzymes involved in inflammatory pathways. This has prompted researchers to investigate its potential as an anti-inflammatory agent, possibly leading to new treatments for chronic inflammatory diseases.

Moreover, the pyridine moiety in 2-(4-pyridyl)cyclopropanecarboxylic acid offers opportunities for further functionalization, allowing chemists to tailor the molecule's properties for specific applications. Functional groups such as amines or alcohols can be introduced to enhance solubility or improve metabolic stability. Such modifications are crucial for optimizing pharmacokinetic profiles and ensuring therapeutic efficacy. The ability to modify this compound while retaining its core structural integrity makes it an attractive building block for medicinal chemists.

Recent advancements in computational chemistry have also played a pivotal role in understanding the behavior of 2-(4-pyridyl)cyclopropanecarboxylic acid. Molecular modeling techniques have been employed to predict how this compound might bind to biological targets at the atomic level. These simulations have provided valuable insights into the molecule's interactions with proteins and nucleic acids, guiding the design of more effective derivatives. By leveraging computational tools, researchers can accelerate the drug discovery process and reduce experimental costs.

The synthesis of 2-(4-pyridyl)cyclopropanecarboxylic acid is another area of active research. Given its complex structure, multiple synthetic routes have been explored to achieve high yields and purity. One common approach involves cyclopropanation reactions followed by functional group transformations to introduce the pyridine moiety. These synthetic strategies often require careful optimization to minimize side reactions and maximize efficiency. The development of efficient synthetic protocols is essential for large-scale production and further exploration of this compound's potential.

In addition to its pharmaceutical applications, 2-(4-pyridyl)cyclopropanecarboxylic acid has shown promise in other areas of chemical research. Its unique structural features make it a valuable tool for studying molecular interactions and developing new analytical methods. For example, derivatives of this compound have been used as probes in spectroscopic studies, helping researchers understand how different molecules interact in solution. Such studies contribute to our fundamental understanding of chemical processes and may inspire new applications beyond drug discovery.

The future prospects for 2-(4-pyridyl)cyclopropanecarboxylic acid are bright, with ongoing research uncovering new possibilities for its use. As our understanding of biological systems continues to grow, so does the demand for innovative molecular tools like this compound. By integrating cutting-edge synthetic methods with advanced computational techniques, scientists are well-positioned to unlock the full potential of 2-(4-pyridyl)cyclopropanecarboxylic acid in medicine and beyond.

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