Cas no 1261773-33-4 (2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid)
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-5-(3-trifluoromethylphenyl)isonicotinic acid, 95%
- 2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid
- MFCD18318040
- 2-CHLORO-5-(3-TRIFLUOROMETHYLPHENYL)ISONICOTINIC ACID
- DTXSID20687978
- 2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinicacid
- 1261773-33-4
-
- MDL: MFCD18318040
- Inchi: 1S/C13H7ClF3NO2/c14-11-5-9(12(19)20)10(6-18-11)7-2-1-3-8(4-7)13(15,16)17/h1-6H,(H,19,20)
- InChI Key: TWHFFRNAXKAZJJ-UHFFFAOYSA-N
- SMILES: ClC1=CC(C(=O)O)=C(C=N1)C1C=CC=C(C(F)(F)F)C=1
Computed Properties
- Exact Mass: 301.0117406Da
- Monoisotopic Mass: 301.0117406Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 364
- 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: 3.9
- Topological Polar Surface Area: 50.2?2
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013009380-250mg |
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid |
1261773-33-4 | 97% | 250mg |
484.80 USD | 2021-06-25 | |
| Alichem | A013009380-500mg |
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid |
1261773-33-4 | 97% | 500mg |
831.30 USD | 2021-06-25 | |
| Alichem | A013009380-1g |
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid |
1261773-33-4 | 97% | 1g |
1,534.70 USD | 2021-06-25 | |
| Chemenu | CM491568-1g |
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinicacid |
1261773-33-4 | 97% | 1g |
$718 | 2022-06-13 | |
| abcr | AB324830-5 g |
2-Chloro-5-(3-trifluoromethylphenyl)isonicotinic acid, 95%; . |
1261773-33-4 | 95% | 5g |
€1,159.00 | 2022-06-10 | |
| abcr | AB324830-5g |
2-Chloro-5-(3-trifluoromethylphenyl)isonicotinic acid, 95%; . |
1261773-33-4 | 95% | 5g |
€1159.00 | 2024-04-20 | |
| Ambeed | A730371-1g |
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid |
1261773-33-4 | 97% | 1g |
$733.0 | 2024-04-25 |
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid Related Literature
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
Additional information on 2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic Acid: A Comprehensive Overview
2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid, also known by its CAS number 1261773-33-4, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is a derivative of isonicotinic acid, which itself is a derivative of nicotinic acid, a well-known precursor to the neurotransmitter nicotine. The presence of the chloro and trifluoromethyl groups in its structure introduces unique chemical properties that make it a valuable molecule for research and potential applications.
The molecular structure of 2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid consists of an isonicotinic acid backbone with a chlorine atom at the 2-position and a trifluoromethyl-substituted phenyl group at the 5-position. This substitution pattern not only enhances the compound's stability but also imparts specific electronic and steric effects that are crucial for its biological activity. Recent studies have highlighted the importance of such substitutions in modulating the pharmacokinetic properties of drugs, making this compound a promising candidate for drug development.
One of the most notable aspects of CAS No. 1261773-33-4 is its potential as a lead compound in medicinal chemistry. Researchers have explored its ability to inhibit various enzymes and receptors, which could be pivotal in treating conditions such as cancer, inflammation, and neurodegenerative diseases. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that this compound exhibits potent inhibitory activity against certain kinase enzymes, which are often overexpressed in cancer cells.
In addition to its medicinal applications, 2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid has shown promise in materials science. Its ability to form stable crystalline structures makes it a candidate for use in organic electronics and optoelectronic devices. Recent advancements in crystal engineering have revealed that this compound can be tailored to exhibit desirable electronic properties, further expanding its potential applications.
The synthesis of CAS No. 1261773-33-4 involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. Researchers have optimized the synthesis pathway to improve yield and purity, making it more feasible for large-scale production. This has been particularly important as demand for this compound increases due to its diverse applications.
From an environmental perspective, understanding the degradation pathways and ecological impact of 2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid is crucial for ensuring sustainable practices. Studies have shown that this compound undergoes rapid biodegradation under certain conditions, reducing its environmental footprint. However, further research is needed to fully assess its long-term effects on ecosystems.
In conclusion, CAS No. 1261773-33-4, or 2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid, stands out as a versatile compound with significant potential across multiple disciplines. Its unique chemical properties, combined with recent advancements in synthesis and application development, position it as a key player in future scientific breakthroughs.
1261773-33-4 (2-Chloro-5-(3-(trifluoromethyl)phenyl)isonicotinic acid) Related Products
- 1261680-60-7(2-Chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid)
- 1261542-01-1(Methyl 2-chloro-3-(4-(trifluoromethyl)phenyl)isonicotinate)
- 1261888-75-8(2-Chloro-5-(4-fluoro-3-trifluoromethylphenyl)isonicotinic acid)
- 261635-77-2(6-Chloro-4-trifluoromethylnicotinic Acid)
- 1261888-92-9(2-Chloro-5-(4-methoxy-3-trifluoromethylphenyl)isonicotinic acid)
- 1261604-81-2(2-Chloro-5-(4-(trifluoromethyl)phenyl)isonicotinic acid)
- 1261920-42-6(2-Chloro-5-(2-fluoro-3-trifluoromethylphenyl)isonicotinic acid)
- 505084-58-2(2-Chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid)
- 1261789-13-2(2-Chloro-5-(4-(trifluoromethyl)phenyl)isonicotinaldehyde)
- 1261680-76-5(2-Chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid)