Cas no 1805423-31-7 (3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine)
3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine Chemical and Physical Properties
Names and Identifiers
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- 3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine
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- Inchi: 1S/C8H5F3N2O/c1-14-8-5(3-12)4(7(10)11)2-6(9)13-8/h2,7H,1H3
- InChI Key: AVKFXNDSPJKIIC-UHFFFAOYSA-N
- SMILES: FC(C1C=C(N=C(C=1C#N)OC)F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 240
- XLogP3: 1.9
- Topological Polar Surface Area: 45.9
3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029044306-1g |
3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine |
1805423-31-7 | 97% | 1g |
$1,549.60 | 2022-04-01 |
3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on 3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine
Professional Introduction to 3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine (CAS No. 1805423-31-7)
3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine (CAS No. 1805423-31-7) is a sophisticated heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound, characterized by its unique structural framework, exhibits a blend of functionalities that make it a promising candidate for further exploration in drug discovery and development.
The molecular structure of this compound features a pyridine core, which is a well-established scaffold in the design of bioactive molecules. The presence of multiple substituents, including a cyano group, a difluoromethyl group, a fluoro group, and a methoxy group, contributes to its diverse chemical properties and potential biological activities. These substituents not only enhance the compound's solubility and metabolic stability but also influence its interactions with biological targets.
In recent years, there has been an increasing interest in the development of fluorinated pyridines due to their favorable pharmacokinetic profiles and enhanced binding affinities. The introduction of fluorine atoms into the pyridine ring can modulate electronic and steric properties, leading to improved drug-like characteristics. Specifically, the difluoromethyl group is known for its ability to enhance metabolic stability and binding affinity, making it a valuable moiety in medicinal chemistry.
Moreover, the cyano group in the molecule can serve as a handle for further chemical modifications, allowing for the synthesis of more complex derivatives. This flexibility is particularly useful in the context of structure-activity relationship (SAR) studies, where subtle changes in the molecular structure can lead to significant alterations in biological activity.
Recent studies have highlighted the potential of 3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine as a building block for the development of novel therapeutic agents. For instance, researchers have explored its utility in the synthesis of kinase inhibitors, which are critical in the treatment of various cancers and inflammatory diseases. The combination of electron-withdrawing and electron-donating groups in this compound can fine-tune its interactions with protein targets, leading to high selectivity and efficacy.
The fluoro group present in the molecule also plays a crucial role in its pharmacological properties. Fluorine atoms can influence both the physical chemical properties and the biological activity of a molecule. In particular, fluorine substitution can increase lipophilicity, improve bioavailability, and enhance binding affinity to biological targets. These effects are particularly relevant in the context of drug design, where optimizing these parameters is essential for achieving therapeutic success.
The methoxy group at the 2-position of the pyridine ring adds another layer of functionality to this compound. Methoxy groups are commonly found in bioactive molecules and can contribute to solubility, metabolic stability, and interactions with biological targets. The presence of this group in 3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine suggests that it may exhibit favorable pharmacokinetic properties and potential therapeutic applications.
In conclusion, 3-Cyano-4-(difluoromethyl)-6-fluoro-2-methoxypyridine (CAS No. 1805423-31-7) is a versatile and promising compound with significant potential in pharmaceutical research. Its unique structural features and functional groups make it an attractive candidate for further exploration in drug discovery and development. As our understanding of fluorinated heterocycles continues to grow, compounds like this are likely to play an increasingly important role in the design of next-generation therapeutic agents.
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