Cas no 4116-88-5 (2-Pyridinecarboxylicacid, 3-ethyl-)

2-Pyridinecarboxylic acid, 3-ethyl-, is a substituted pyridine derivative with a carboxylic acid functional group at the 2-position and an ethyl substituent at the 3-position. This compound is of interest in organic synthesis and pharmaceutical research due to its versatile reactivity, serving as a building block for heterocyclic compounds and metal-chelating ligands. The ethyl group enhances lipophilicity, potentially improving solubility in organic matrices. Its structural features make it useful in coordination chemistry and as an intermediate in the development of bioactive molecules. The compound is typically characterized by high purity and stability, ensuring reliable performance in synthetic applications.
2-Pyridinecarboxylicacid, 3-ethyl- structure
4116-88-5 structure
Product Name:2-Pyridinecarboxylicacid, 3-ethyl-
CAS No:4116-88-5
MF:C8H9NO2
MW:151.162562131882
CID:325000
PubChem ID:17841857
Update Time:2025-06-12

2-Pyridinecarboxylicacid, 3-ethyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarboxylicacid, 3-ethyl-
    • 3-ethylpicolinic acid
    • 3-ethylpyridine-2-carboxylic acid
    • Picolinic acid, 3-ethyl- (6CI,7CI,8CI)
    • SCHEMBL353589
    • 4116-88-5
    • DTXSID60591222
    • INTNEELQXPKMNM-UHFFFAOYSA-N
    • FT-0715371
    • CS-0124018
    • ethyl 2-pyridinecarboxylic acid
    • Athyl-pyridinmonocarbonsaure
    • 3-Ethylpicolinicacid
    • DA-23623
    • Inchi: 1S/C8H9NO2/c1-2-6-4-3-5-9-7(6)8(10)11/h3-5H,2H2,1H3,(H,10,11)
    • InChI Key: INTNEELQXPKMNM-UHFFFAOYSA-N
    • SMILES: OC(C1C(=CC=CN=1)CC)=O

Computed Properties

  • Exact Mass: 151.06337
  • Monoisotopic Mass: 151.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 147
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.5
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19

2-Pyridinecarboxylicacid, 3-ethyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1194658-1g
3-Ethylpicolinic acid
4116-88-5 97%
1g
¥11375.00 2024-05-14

Additional information on 2-Pyridinecarboxylicacid, 3-ethyl-

Recent Advances in the Study of 2-Pyridinecarboxylicacid, 3-ethyl- (CAS: 4116-88-5) in Chemical Biology and Pharmaceutical Research

The compound 2-Pyridinecarboxylicacid, 3-ethyl- (CAS: 4116-88-5) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug development and biological studies. This heterocyclic compound, characterized by its pyridine core and ethyl substitution, has been explored for its unique chemical properties and biological activities. Recent studies have focused on its synthesis, structural modifications, and interactions with biological targets, shedding light on its therapeutic potential.

One of the key areas of research involves the optimization of synthetic routes for 2-Pyridinecarboxylicacid, 3-ethyl-. A study published in the Journal of Medicinal Chemistry (2023) reported an efficient, high-yield synthesis method using catalytic hydrogenation and subsequent functionalization. The researchers highlighted the compound's stability under physiological conditions, making it a promising candidate for further pharmaceutical applications. Additionally, computational modeling studies have predicted favorable binding affinities for this compound with various enzyme targets, including kinases and proteases.

In the context of drug discovery, 2-Pyridinecarboxylicacid, 3-ethyl- has been investigated as a scaffold for the development of novel kinase inhibitors. A recent preclinical study demonstrated its efficacy in selectively inhibiting specific tyrosine kinases involved in cancer cell proliferation. The compound's ability to penetrate cell membranes and its low cytotoxicity profile were particularly noteworthy, suggesting its potential as a lead compound for anticancer therapies. Further in vivo studies are currently underway to evaluate its pharmacokinetics and therapeutic efficacy.

Beyond its pharmaceutical applications, research has also explored the compound's role in chemical biology. A 2024 study published in ACS Chemical Biology revealed that 2-Pyridinecarboxylicacid, 3-ethyl- can function as a versatile chemical probe for studying protein-ligand interactions. Its fluorescent derivatives have been successfully used in F?rster resonance energy transfer (FRET) assays, enabling real-time monitoring of molecular interactions in live cells. This application opens new avenues for understanding cellular signaling pathways and drug-target engagement.

Looking forward, the research community anticipates continued progress in understanding and applying 2-Pyridinecarboxylicacid, 3-ethyl-. Current challenges include improving its selectivity for specific biological targets and optimizing its drug-like properties. However, the compound's demonstrated versatility and the growing body of research supporting its applications suggest it will remain an important focus in chemical biology and pharmaceutical research in the coming years.

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