Cas no 884494-54-6 (2-Chloro-5-fluoroisonicotinaldehyde)
2-Chloro-5-fluoroisonicotinaldehyde Chemical and Physical Properties
Names and Identifiers
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- 2-Chloro-5-fluoroisonicotinaldehyde
- 2-CHLORO-5-FLUORO-4-FORMYLPYRIDINE
- 2-Chloro-5-fluoro-pyridine-4-carbaldehyde
- 2-chloro-5-fluoropyridine-4-carbaldehyde
- 4-Pyridinecarboxaldehyde, 2-chloro-5-fluoro-
- 2-chloro-4-formyl-5-fluoropyridine
- 2-Chloro-5-fluoropyridine-4-carboxaldehyde
- PubChem15227
- SUXQRZZPWPDIIN-UHFFFAOYSA-N
- FCH833090
- AS04811
- AB20993
- EN000986
- ST2416733
- AX8042444
- W9066
- 2-Chloro-5-fluoro-4-pyridinecarboxaldehyde (ACI)
- SY102420
- SCHEMBL412602
- AC-33402
- DB-024973
- GS-4185
- MFCD04972411
- Pyridine2-Chloro-5-fluoro-4-carboxaldehyde
- AKOS006228141
- 884494-54-6
- 2-CHLORO-5-FLUORO-4-PYRIDINECARBOXALDEHYDE
- EN300-399760
- J-508827
- CS-0019348
- DTXSID30660499
-
- MDL: MFCD04972411
- Inchi: 1S/C6H3ClFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
- InChI Key: SUXQRZZPWPDIIN-UHFFFAOYSA-N
- SMILES: O=CC1C(F)=CN=C(Cl)C=1
Computed Properties
- Exact Mass: 158.98900
- Monoisotopic Mass: 158.9887196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 133
- 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: 30
- XLogP3: 1.4
Experimental Properties
- Density: 1.444
- Boiling Point: 228℃
- Flash Point: 91℃
- PSA: 29.96000
- LogP: 1.68660
2-Chloro-5-fluoroisonicotinaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB443332-1 g |
2-Chloro-5-fluoroisonicotinaldehyde |
884494-54-6 | 1g |
€210.60 | 2023-07-18 | ||
| abcr | AB443332-5 g |
2-Chloro-5-fluoroisonicotinaldehyde |
884494-54-6 | 5g |
€625.60 | 2023-07-18 | ||
| abcr | AB443332-10 g |
2-Chloro-5-fluoroisonicotinaldehyde |
884494-54-6 | 10g |
€1,029.40 | 2023-07-18 | ||
| Chemenu | CM178786-250mg |
2-Chloro-5-fluoroisonicotinaldehyde |
884494-54-6 | 98% | 250mg |
$61 | 2022-03-01 | |
| Chemenu | CM178786-1g |
2-Chloro-5-fluoroisonicotinaldehyde |
884494-54-6 | 98% | 1g |
$154 | 2022-03-01 | |
| Chemenu | CM178786-5g |
2-Chloro-5-fluoroisonicotinaldehyde |
884494-54-6 | 98% | 5g |
$439 | 2022-03-01 | |
| Apollo Scientific | PC900544-250mg |
2-Chloro-5-fluoropyridine-4-carbaldehyde |
884494-54-6 | 98% | 250mg |
£60.00 | 2025-02-22 | |
| Apollo Scientific | PC900544-1g |
2-Chloro-5-fluoropyridine-4-carbaldehyde |
884494-54-6 | 98% | 1g |
£75.00 | 2025-02-22 | |
| Chemenu | CM178786-1g |
2-Chloro-5-fluoroisonicotinaldehyde |
884494-54-6 | 98% | 1g |
$131 | 2021-08-05 | |
| Chemenu | CM178786-5g |
2-Chloro-5-fluoroisonicotinaldehyde |
884494-54-6 | 98% | 5g |
$358 | 2021-08-05 |
2-Chloro-5-fluoroisonicotinaldehyde Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
Additional information on 2-Chloro-5-fluoroisonicotinaldehyde
Professional Introduction to 2-Chloro-5-fluoroisonicotinaldehyde (CAS No. 884494-54-6)
2-Chloro-5-fluoroisonicotinaldehyde, with the chemical formula C?H?ClFNO? and CAS number 884494-54-6, is a significant compound in the field of pharmaceutical chemistry and medicinal research. This heterocyclic aldehyde derivative exhibits unique structural and electronic properties that make it a valuable intermediate in the synthesis of various biologically active molecules. The presence of both chloro and fluoro substituents on the isonicotinaldehyde backbone enhances its reactivity and potential utility in drug development.
The 2-chloro-5-fluoroisonicotinaldehyde moiety is particularly intriguing due to its ability to participate in diverse chemical transformations, including nucleophilic addition, condensation reactions, and metal-catalyzed coupling processes. These reactions are fundamental to constructing complex molecular architectures, which are often required in the design of novel therapeutic agents. The fluoro group, in particular, is well-known for its ability to modulate metabolic stability, lipophilicity, and binding affinity, making it a staple in modern drug discovery.
In recent years, the pharmaceutical industry has seen a surge in the use of fluorinated compounds due to their favorable pharmacokinetic properties. The chloro substituent further contributes to the versatility of this compound by enabling electrophilic aromatic substitution reactions, which are crucial for functionalizing aromatic rings. This combination of features makes 2-chloro-5-fluoroisonicotinaldehyde an attractive building block for synthesizing small molecules with potential therapeutic applications.
One of the most promising areas of research involving 2-chloro-5-fluoroisonicotinaldehyde is its application in the development of antiviral and anticancer agents. The isonicotinaldehyde scaffold is closely related to nicotinamide derivatives, which have long been studied for their biological activities. By introducing halogen atoms into this framework, researchers can fine-tune the electronic properties of the molecule, leading to enhanced interactions with biological targets. For instance, studies have shown that fluorinated analogs of isonicotinaldehydes exhibit potent inhibitory effects against certain enzymes implicated in viral replication.
Moreover, the 2-chloro-5-fluoroisonicotinaldehyde derivative has been explored as a precursor in the synthesis of kinase inhibitors. Kinases are enzymes that play a critical role in cell signaling pathways, and their dysregulation is often associated with various diseases, including cancer. By designing molecules that selectively inhibit specific kinases, researchers aim to develop treatments that target the underlying mechanisms of these disorders. The reactivity of the aldehyde group allows for facile conjugation with other pharmacophores, enabling the creation of highly specific inhibitors.
Recent advances in computational chemistry have also highlighted the potential of 2-chloro-5-fluoroisonicotinaldehyde as a scaffold for drug design. Molecular modeling studies suggest that this compound can be engineered to interact with biological targets through multiple binding modes, increasing its therapeutic efficacy. Additionally, green chemistry principles have been applied to optimize synthetic routes for producing this compound more sustainably. These efforts align with broader industry trends toward environmentally conscious drug development.
The role of fluoro and chloro substituents in modulating pharmacological properties cannot be overstated. These elements not only influence molecular shape and electronic distribution but also affect how a compound behaves within biological systems. For example, fluorine atoms can increase metabolic stability by resisting hydrolysis under physiological conditions. Meanwhile, chlorine atoms can enhance binding affinity by participating in hydrogen bonding or π-stacking interactions with biological targets. This dual functionality makes 2-chloro-5-fluoroisonicotinaldehyde a versatile tool for medicinal chemists.
In conclusion, 2-chloro-5-fluoroisonicotinaldehyde (CAS No. 884494-54-6) represents a promising intermediate in pharmaceutical research due to its unique structural features and reactivity profile. Its applications span across antiviral, anticancer, and kinase inhibition studies, underscoring its importance as a building block for developing novel therapeutics. As research continues to uncover new synthetic methodologies and biological applications, this compound is poised to remain at the forefront of medicinal chemistry innovation.
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