Cas no 179408-53-8 (3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester)

3-Pyridinecarboxylic acid, 6-(2-thienyl)-, methyl ester is a heterocyclic compound featuring a pyridine core substituted with a thienyl group at the 6-position and a methyl ester at the 3-position. This structure imparts unique reactivity, making it valuable in organic synthesis and pharmaceutical intermediates. The thienyl moiety enhances electron-rich character, while the ester group provides versatility for further functionalization. Its well-defined molecular architecture ensures consistent performance in coupling reactions and metal-catalyzed transformations. The compound is particularly useful in the development of bioactive molecules due to its balanced lipophilicity and structural rigidity. High purity and stability under standard conditions further support its utility in research and industrial applications.
3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester structure
179408-53-8 structure
Product Name:3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester
CAS No:179408-53-8
MF:C11H9NO2S
MW:219.259661436081
MDL:MFCD08690297
CID:133659
PubChem ID:17879034
Update Time:2025-10-23

3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester
    • methyl 6-thien-2-ylnicotinate
    • methyl 6-thiophen-2-ylpyridine-3-carboxylate
    • METHYL 6-THIEN-2-YLNICOTINATE 97
    • MFCD08690297
    • SXGLIAOLXVLUCM-UHFFFAOYSA-N
    • 3-Pyridinecarboxylicacid,6-(2-thienyl)-,methyl ester
    • AKOS015908838
    • FT-0733679
    • 179408-53-8
    • methyl 6-(thiophen-2-yl)pyridine-3-carboxylate
    • SCHEMBL7317667
    • methyl 6-(2-thienyl)pyridine-3-carboxylate
    • DTXSID40591442
    • Methyl 6-thien-2-ylnicotinate 97%
    • MDL: MFCD08690297
    • Inchi: 1S/C11H9NO2S/c1-14-11(13)8-4-5-9(12-7-8)10-3-2-6-15-10/h2-7H,1H3
    • InChI Key: SXGLIAOLXVLUCM-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C1C=CC(C(=O)OC)=CN=1

Computed Properties

  • Exact Mass: 219.03500
  • Monoisotopic Mass: 219.03539970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 235
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • Density: 1.25
  • Melting Point: 117-118
  • Boiling Point: 333.5°Cat760mmHg
  • Flash Point: 155.5°C
  • Refractive Index: 1.589
  • PSA: 67.43000
  • LogP: 2.59670

3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB225139-1 g
Methyl 6-thien-2-ylnicotinate, 97%; .
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€128.10 2023-04-27
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Methyl 6-thien-2-ylnicotinate, 97%; .
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Additional information on 3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester

Recent Advances in the Study of 3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester (CAS: 179408-53-8) in Chemical Biology and Pharmaceutical Research

The compound 3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester (CAS: 179408-53-8) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research briefing aims to provide an up-to-date overview of the latest findings related to this compound, including its synthesis, biological activity, and potential applications in drug development.

Recent studies have highlighted the role of 3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester as a key intermediate in the synthesis of novel heterocyclic compounds. Its structural framework, which combines a pyridine ring with a thienyl group, offers a versatile scaffold for the development of bioactive molecules. Researchers have explored its utility in the design of kinase inhibitors, antimicrobial agents, and anti-inflammatory compounds, demonstrating its broad applicability in medicinal chemistry.

One of the most notable advancements in the study of this compound is its potential as a modulator of protein-protein interactions (PPIs). A 2023 study published in the Journal of Medicinal Chemistry revealed that derivatives of 3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester exhibit high affinity for specific protein targets involved in cancer cell proliferation. The study employed computational docking and molecular dynamics simulations to elucidate the binding mechanisms, providing valuable insights for future drug design efforts.

In addition to its therapeutic potential, recent research has also focused on optimizing the synthetic routes for 3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester. A team of chemists reported a novel catalytic method that significantly improves the yield and purity of the compound, as detailed in a 2022 article in Organic Letters. This advancement is expected to facilitate large-scale production and further exploration of its biological activities.

Despite these promising developments, challenges remain in fully understanding the pharmacokinetic and pharmacodynamic properties of 3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester. Ongoing studies are investigating its metabolic stability, toxicity profiles, and potential off-target effects to ensure its suitability for clinical applications. Preliminary results from in vivo models suggest that the compound has a favorable safety profile, but further validation is required.

In conclusion, 3-Pyridinecarboxylicacid, 6-(2-thienyl)-, methyl ester (CAS: 179408-53-8) represents a promising candidate for drug discovery and development. Its unique structural features, combined with its diverse biological activities, make it a valuable tool for researchers in the chemical biology and pharmaceutical fields. Future studies should focus on translating these findings into practical applications, such as the development of novel therapeutics for unmet medical needs.

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