Cas no 75291-85-9 (5-Bromo-2-chloronicotinamide)
5-Bromo-2-chloronicotinamide Chemical and Physical Properties
Names and Identifiers
-
- 5-Bromo-2-chloronicotinamide
- 5-Bromo-2-chloropyridine-3-carboxamide
- MFCD13176452
- CS-0149983
- 75291-85-9
- AMY6276
- FF-0711
- DTXSID20504939
- SCHEMBL4492180
- NFUOTGWWIKJNQL-UHFFFAOYSA-N
- AKOS005662894
- FT-0683872
- O11363
- A865710
- SY031233
- 5-Bromo-2-chloro-nicotinamide
- DA-41439
- STK932738
- BBL032339
-
- MDL: MFCD13176452
- Inchi: 1S/C6H4BrClN2O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,9,11)
- InChI Key: NFUOTGWWIKJNQL-UHFFFAOYSA-N
- SMILES: BrC1=CN=C(C(C(N)=O)=C1)Cl
Computed Properties
- Exact Mass: 233.92000
- Monoisotopic Mass: 233.91955g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 1.4
- Topological Polar Surface Area: 56?2
Experimental Properties
- Density: 1.818±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 187-188 oC (ethanol water )
- Solubility: Slightly soluble (4 g/l) (25 o C),
- PSA: 55.98000
- LogP: 2.29670
5-Bromo-2-chloronicotinamide Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-Bromo-2-chloronicotinamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029013847-5g |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 95% | 5g |
$277.05 | 2023-09-01 | |
| Alichem | A029013847-10g |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 95% | 10g |
$437.50 | 2023-09-01 | |
| Alichem | A029013847-100g |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 95% | 100g |
$3480.52 | 2023-09-01 | |
| Fluorochem | 211585-1g |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 95% | 1g |
£53.00 | 2022-02-28 | |
| Fluorochem | 211585-5g |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 95% | 5g |
£184.00 | 2022-02-28 | |
| Fluorochem | 211585-10g |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 95% | 10g |
£320.00 | 2022-02-28 | |
| Fluorochem | 211585-25g |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 95% | 25g |
£643.00 | 2022-02-28 | |
| TRC | B684098-100mg |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B684098-250mg |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 250mg |
$ 69.00 | 2023-04-18 | ||
| TRC | B684098-500mg |
5-Bromo-2-chloronicotinamide |
75291-85-9 | 500mg |
$ 98.00 | 2023-04-18 |
5-Bromo-2-chloronicotinamide Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
Additional information on 5-Bromo-2-chloronicotinamide
Introduction to 5-Bromo-2-chloronicotinamide (CAS No. 75291-85-9)
5-Bromo-2-chloronicotinamide is a significant compound in the realm of chemical and pharmaceutical research, characterized by its unique structural and functional properties. This compound, identified by the Chemical Abstracts Service Number (CAS No.) 75291-85-9, has garnered considerable attention due to its potential applications in medicinal chemistry and drug development. The presence of both bromo and chloro substituents in its molecular structure makes it a versatile intermediate for synthesizing various bioactive molecules.
The molecular structure of 5-Bromo-2-chloronicotinamide consists of a nicotinamide core, which is a well-known pharmacophore found in numerous therapeutic agents. The substitution pattern, specifically the bromo and chloro groups at the 5th and 2nd positions respectively, imparts distinct reactivity and binding characteristics to the molecule. This makes it an invaluable building block for designing novel compounds with enhanced pharmacological properties.
In recent years, there has been a surge in research focused on developing new derivatives of nicotinamide-based compounds due to their broad spectrum of biological activities. The halogenated nicotinamides, such as 5-Bromo-2-chloronicotinamide, have been particularly studied for their potential in modulating enzyme activities and interacting with biological targets. For instance, studies have shown that halogenated nicotinamides can exhibit inhibitory effects on various enzymes involved in metabolic pathways, making them promising candidates for therapeutic intervention.
One of the most compelling aspects of 5-Bromo-2-chloronicotinamide is its role as a precursor in the synthesis of more complex molecules. Researchers have leveraged its reactive sites to develop a range of derivatives with tailored properties. These derivatives have shown promise in preclinical studies, particularly in the context of antiviral and anticancer therapies. The ability to modify the substituents on the nicotinamide ring allows for fine-tuning of the compound's interactions with biological targets, thereby enhancing its efficacy and reducing potential side effects.
The synthesis of 5-Bromo-2-chloronicotinamide typically involves multi-step organic reactions that require precise control over reaction conditions. The introduction of bromo and chloro groups often necessitates the use of specialized reagents and catalysts to ensure high yields and purity. Advances in synthetic methodologies have enabled more efficient production processes, making this compound more accessible for research purposes. Additionally, computational chemistry techniques have been employed to predict and optimize reaction pathways, further streamlining the synthesis process.
In the context of drug discovery, 5-Bromo-2-chloronicotinamide has been explored as a key intermediate in the development of small-molecule inhibitors. These inhibitors target specific enzymes or receptors that are implicated in various diseases. For example, derivatives of this compound have been investigated for their potential to inhibit kinases and other enzymes involved in cancer progression. The halogen atoms enhance binding affinity by increasing hydrophobic interactions and dipole-dipole forces with biological targets, thereby improving drug potency.
The pharmacokinetic properties of 5-Bromo-2-chloronicotinamide and its derivatives are also subjects of extensive research. Understanding how these compounds are absorbed, distributed, metabolized, and excreted (ADME) is crucial for optimizing their therapeutic use. Studies have shown that modifications at the bromo and chloro positions can significantly influence these properties. For instance, certain derivatives exhibit improved oral bioavailability due to alterations in their metabolic stability.
Emerging research indicates that 5-Bromo-2-chloronicotinamide may have applications beyond traditional pharmaceuticals. Its unique chemical properties make it a valuable tool in materials science, particularly in the development of advanced materials with tailored electronic and optical characteristics. The halogenated nicotinamides can be incorporated into polymers and coatings to enhance their functionality, offering new possibilities for industrial applications.
The environmental impact of synthesizing and using 5-Bromo-2-chloronicotinamide is another area of growing interest. Efforts are being made to develop greener synthetic routes that minimize waste and reduce energy consumption. Additionally, researchers are exploring ways to improve the biodegradability of halogenated compounds to mitigate potential environmental risks associated with their use.
In conclusion, 5-Bromo-2-chloronicotinamide (CAS No. 75291-85-9) represents a fascinating compound with diverse applications in pharmaceuticals and materials science. Its unique structural features make it a versatile intermediate for synthesizing bioactive molecules with potential therapeutic benefits. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in advancing both medicinal chemistry and industrial innovation.
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