Cas no 113209-90-8 ((4-Chloro-5-fluoropyridin-2-yl)methanol)

(4-Chloro-5-fluoropyridin-2-yl)methanol is a fluorinated pyridine derivative with a hydroxymethyl functional group at the 2-position, offering versatile reactivity for further synthetic modifications. The presence of both chloro and fluoro substituents enhances its utility as a building block in pharmaceutical and agrochemical applications, enabling selective functionalization. The hydroxymethyl group allows for straightforward derivatization into esters, ethers, or other intermediates. Its well-defined structure and high purity make it suitable for precision synthesis. The compound’s stability under standard conditions ensures reliable handling and storage. This intermediate is particularly valuable in the development of bioactive molecules, where halogenated pyridines play a critical role in modulating physicochemical and pharmacokinetic properties.
(4-Chloro-5-fluoropyridin-2-yl)methanol structure
113209-90-8 structure
Product Name:(4-Chloro-5-fluoropyridin-2-yl)methanol
CAS No:113209-90-8
MF:C6H5ClFNO
MW:161.561403989792
MDL:MFCD09953777
CID:63014
PubChem ID:19791208
Update Time:2025-05-21

(4-Chloro-5-fluoropyridin-2-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-5-fluoro-2-pyridinemethanol
    • (4-Chloro-5-fluoropyridin-2-yl)methanol
    • (4-Chloro-5-fluoropyridin-2-yl)
    • 2-Pyridinemethanol,4-chloro-5-fluoro-
    • 4-Chloro-5-fluoro-2-(hydroxymethyl)pyridine
    • VYGKQYHESCOCGJ-UHFFFAOYSA-N
    • BCP27063
    • FCH878698
    • 4-Chloro-5-fluoropyridine-2-methanol
    • PC10627
    • VP13183
    • RP02193
    • PB22370
    • (4-chloro-5-fluoro-2-pyridyl)methanol
    • 2-Pyridinemethanol, 4-chloro-5-fluoro-
    • (4-Chloro-5-fluoro-2-pyridi
    • SY102671
    • DS-11145
    • SCHEMBL1783170
    • MFCD09953777
    • CS-0054816
    • P10865
    • DTXSID60599960
    • (4-Chloro-5-fluoro-2-pyridinyl)methanol
    • FT-0649431
    • 113209-90-8
    • A2297
    • AKOS006313821
    • MDL: MFCD09953777
    • Inchi: 1S/C6H5ClFNO/c7-5-1-4(3-10)9-2-6(5)8/h1-2,10H,3H2
    • InChI Key: VYGKQYHESCOCGJ-UHFFFAOYSA-N
    • SMILES: ClC1C(=CN=C(CO)C=1)F

Computed Properties

  • Exact Mass: 161.00400
  • Monoisotopic Mass: 161.004
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 114
  • 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: 33.1
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.434
  • Boiling Point: 231.2°C at 760 mmHg
  • Flash Point: 93.6°C
  • Refractive Index: 1.546
  • PSA: 33.12000
  • LogP: 1.36640

(4-Chloro-5-fluoropyridin-2-yl)methanol Pricemore >>

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Additional information on (4-Chloro-5-fluoropyridin-2-yl)methanol

Introduction to (4-Chloro-5-fluoropyridin-2-yl)methanol (CAS No. 113209-90-8)

(4-Chloro-5-fluoropyridin-2-yl)methanol, identified by the CAS registry number 113209-90-8, is a chemical compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyridine derivatives, which are widely studied due to their diverse applications in drug discovery, agrochemicals, and materials science. The structure of this molecule consists of a pyridine ring substituted with chlorine and fluorine atoms at positions 4 and 5, respectively, along with a hydroxymethyl group at position 2. This unique substitution pattern imparts distinctive electronic and steric properties to the molecule, making it a valuable substrate for further chemical modifications and functionalization.

Recent advancements in synthetic methodologies have enabled the efficient synthesis of (4-Chloro-5-fluoropyridin-2-yl)methanol. Researchers have employed various strategies, including nucleophilic aromatic substitution, cross-coupling reactions, and directed metallation techniques, to construct this compound with high yield and purity. These methods not only facilitate the preparation of this compound but also pave the way for its use as an intermediate in the synthesis of more complex molecules. For instance, the hydroxymethyl group can be readily converted into other functional groups such as ethers, esters, or amines through simple chemical transformations.

The biological activity of (4-Chloro-5-fluoropyridin-2-yl)methanol has been explored in several studies. Experimental data indicate that this compound exhibits potential as an antifungal agent due to its ability to inhibit key enzymes involved in fungal metabolism. Additionally, preliminary results suggest that it may possess anticancer properties by modulating specific signaling pathways in cancer cells. These findings underscore the importance of further research into its pharmacokinetics, toxicity profile, and mechanism of action.

In terms of industrial applications, (4-Chloro-5-fluoropyridin-2-yl)methanol has shown promise as an intermediate in the production of agrochemicals. Its ability to act as a selective herbicide or insecticide precursor makes it a valuable asset in crop protection technologies. Moreover, its structural versatility allows for its use in the development of advanced materials such as organic semiconductors or light-emitting diodes (LEDs), where pyridine derivatives are known for their excellent electronic properties.

From an environmental standpoint, understanding the fate and transport of (4-Chloro-5-fluoropyridin-2-yl)methanol in various ecosystems is crucial for assessing its potential impact on human health and the environment. Studies conducted under controlled laboratory conditions reveal that this compound undergoes rapid degradation under UV light or enzymatic action, reducing its persistence in natural systems. However, further investigations are required to evaluate its long-term effects on aquatic organisms and soil microbiota.

In conclusion, (4-Chloro-5-fluoropyridin-2-yl)methanol (CAS No. 113209-90-8) is a versatile chemical entity with multifaceted applications across various scientific domains. Its unique structure, coupled with recent advances in synthetic chemistry and biological research, positions it as a key player in future innovations within pharmaceuticals, agrochemicals, and materials science. Continued exploration into its properties will undoubtedly unlock new opportunities for harnessing its potential benefits while ensuring its safe use and environmental compatibility.

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