Cas no 1806770-02-4 (2-Bromo-6-chloro-4-(difluoromethyl)pyridine)
2-Bromo-6-chloro-4-(difluoromethyl)pyridine Chemical and Physical Properties
Names and Identifiers
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- 2-Bromo-6-chloro-4-(difluoromethyl)pyridine
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- MDL: MFCD25477644
- Inchi: 1S/C6H3BrClF2N/c7-4-1-3(6(9)10)2-5(8)11-4/h1-2,6H
- InChI Key: SEKAVWRKKGRVON-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=C(N=1)Cl)C(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 136
- XLogP3: 3.5
- Topological Polar Surface Area: 12.9
2-Bromo-6-chloro-4-(difluoromethyl)pyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A023023189-250mg |
2-Bromo-6-chloro-4-(difluoromethyl)pyridine |
1806770-02-4 | 97% | 250mg |
$714.00 | 2022-03-31 | |
| Alichem | A023023189-500mg |
2-Bromo-6-chloro-4-(difluoromethyl)pyridine |
1806770-02-4 | 97% | 500mg |
$1,078.00 | 2022-03-31 | |
| Alichem | A023023189-1g |
2-Bromo-6-chloro-4-(difluoromethyl)pyridine |
1806770-02-4 | 97% | 1g |
$1,646.40 | 2022-03-31 | |
| eNovation Chemicals LLC | Y1104966-5g |
2-bromo-6-chloro-4-(difluoromethyl)pyridine |
1806770-02-4 | 95% | 5g |
$1980 | 2024-07-23 | |
| eNovation Chemicals LLC | Y1104966-5g |
2-bromo-6-chloro-4-(difluoromethyl)pyridine |
1806770-02-4 | 95% | 5g |
$1980 | 2025-02-20 | |
| eNovation Chemicals LLC | Y1104966-5g |
2-bromo-6-chloro-4-(difluoromethyl)pyridine |
1806770-02-4 | 95% | 5g |
$1980 | 2025-02-18 |
2-Bromo-6-chloro-4-(difluoromethyl)pyridine Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
Additional information on 2-Bromo-6-chloro-4-(difluoromethyl)pyridine
Professional Introduction to 2-Bromo-6-chloro-4-(difluoromethyl)pyridine (CAS No. 1806770-02-4)
2-Bromo-6-chloro-4-(difluoromethyl)pyridine, with the chemical formula C?H?BrClF?N, is a significant intermediate in the pharmaceutical and agrochemical industries. This compound, identified by its unique CAS number 1806770-02-4, has garnered attention due to its versatile applications in synthesizing various biologically active molecules. The presence of multiple halogen substituents and a difluoromethyl group makes it a valuable building block for further chemical modifications, enabling the development of novel compounds with enhanced pharmacological properties.
The structure of 2-Bromo-6-chloro-4-(difluoromethyl)pyridine features a pyridine core substituted with bromine at the 2-position, chlorine at the 6-position, and a difluoromethyl group at the 4-position. This arrangement provides a rich framework for functionalization, making it an attractive candidate for medicinal chemists seeking to design molecules with specific interactions and efficacy profiles. The pyridine ring itself is a common motif in many drugs, contributing to favorable pharmacokinetic properties such as solubility and metabolic stability.
In recent years, the pharmaceutical industry has seen a surge in the development of compounds containing halogenated pyridines due to their ability to modulate biological targets effectively. The halogen atoms in 2-Bromo-6-chloro-4-(difluoromethyl)pyridine play a crucial role in enhancing binding affinity and metabolic stability. For instance, bromine and chlorine can participate in hydrogen bonding or π-stacking interactions with biological targets, while the difluoromethyl group can improve lipophilicity and resistance to metabolic degradation. These features make this compound particularly useful in the synthesis of kinase inhibitors, antiviral agents, and other therapeutic entities.
One of the most compelling aspects of 2-Bromo-6-chloro-4-(difluoromethyl)pyridine is its utility in fragment-based drug discovery. Fragment-based approaches rely on identifying small molecules that bind weakly to a target protein but can be optimized through iterative chemical modifications to achieve high-affinity binders. The CAS number 1806770-02-4 compound serves as an excellent starting point for such campaigns due to its modular structure and ease of functionalization. Researchers have leveraged this compound to develop novel inhibitors targeting various diseases, including cancer and infectious disorders.
Recent studies have highlighted the importance of halogenated pyridines in medicinal chemistry. A notable example is the development of second-generation EGFR inhibitors, where substituents like bromo and chloro groups on the pyridine ring have been shown to significantly improve drug potency and selectivity. The structure-activity relationship (SAR) of these compounds has been extensively studied, with 2-Bromo-6-chloro-4-(difluoromethyl)pyridine emerging as a key intermediate in this process. By systematically varying the substituents on the pyridine core, chemists can fine-tune the pharmacological properties of their lead compounds.
The agrochemical sector also benefits from the versatility of 2-Bromo-6-chloro-4-(difluoromethyl)pyridine. Pyridine derivatives are widely used in crop protection agents due to their ability to interact with biological targets in pests and weeds. The presence of multiple functional groups on this compound allows for the synthesis of herbicides, fungicides, and insecticides with tailored modes of action. For instance, recent research has demonstrated that derivatives of this compound exhibit potent activity against resistant strains of weeds by inhibiting key enzymes involved in plant growth regulation.
In conclusion, 2-Bromo-6-chloro-4-(difluoromethyl)pyridine (CAS No. 1806770-02-4) is a multifaceted compound with significant potential in both pharmaceutical and agrochemical applications. Its unique structural features make it an invaluable intermediate for synthesizing biologically active molecules with improved pharmacological properties. As research continues to uncover new therapeutic targets and agrochemical challenges, compounds like this will remain at the forefront of drug discovery efforts worldwide.
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