Cas no 1256792-16-1 (5-Bromo-6-methylpyridine-3-carbonitrile)
5-Bromo-6-methylpyridine-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-6-methylnicotinonitrile
- 5-Bromo-6-methylpyridine-3-carbonitrile
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- MDL: MFCD18255224
- Inchi: 1S/C7H5BrN2/c1-5-7(8)2-6(3-9)4-10-5/h2,4H,1H3
- InChI Key: BQHOGSPXHOJZDV-UHFFFAOYSA-N
- SMILES: BrC1=CC(C#N)=CN=C1C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 160
- Topological Polar Surface Area: 36.7
5-Bromo-6-methylpyridine-3-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1103975-5g |
5-bromo-6-methylnicotinonitrile |
1256792-16-1 | 95% | 5g |
$3500 | 2024-07-24 | |
| Alichem | A029013687-250mg |
5-Bromo-6-methylnicotinonitrile |
1256792-16-1 | 95% | 250mg |
$999.60 | 2023-09-03 | |
| Alichem | A029013687-1g |
5-Bromo-6-methylnicotinonitrile |
1256792-16-1 | 95% | 1g |
$2837.10 | 2023-09-03 | |
| Enamine | EN300-2092931-1g |
5-bromo-6-methylpyridine-3-carbonitrile |
1256792-16-1 | 95% | 1g |
$1343.0 | 2023-09-16 | |
| Enamine | EN300-2092931-5g |
5-bromo-6-methylpyridine-3-carbonitrile |
1256792-16-1 | 95% | 5g |
$3894.0 | 2023-09-16 | |
| Enamine | EN300-2092931-10g |
5-bromo-6-methylpyridine-3-carbonitrile |
1256792-16-1 | 95% | 10g |
$5774.0 | 2023-09-16 | |
| Enamine | EN300-2092931-0.05g |
5-bromo-6-methylpyridine-3-carbonitrile |
1256792-16-1 | 95% | 0.05g |
$312.0 | 2023-09-16 | |
| Enamine | EN300-2092931-0.1g |
5-bromo-6-methylpyridine-3-carbonitrile |
1256792-16-1 | 95% | 0.1g |
$466.0 | 2023-09-16 | |
| Enamine | EN300-2092931-0.25g |
5-bromo-6-methylpyridine-3-carbonitrile |
1256792-16-1 | 95% | 0.25g |
$666.0 | 2023-09-16 | |
| Enamine | EN300-2092931-0.5g |
5-bromo-6-methylpyridine-3-carbonitrile |
1256792-16-1 | 95% | 0.5g |
$1046.0 | 2023-09-16 |
5-Bromo-6-methylpyridine-3-carbonitrile Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
Additional information on 5-Bromo-6-methylpyridine-3-carbonitrile
Comprehensive Analysis of 5-Bromo-6-methylpyridine-3-carbonitrile (CAS No. 1256792-16-1): Properties, Applications, and Industry Insights
5-Bromo-6-methylpyridine-3-carbonitrile (CAS No. 1256792-16-1) is a high-value heterocyclic compound widely recognized for its versatility in pharmaceutical intermediates and agrochemical synthesis. This pyridine derivative features a bromine substituent and a cyano group, making it a critical building block for designing complex molecules. Its molecular formula, C7H5BrN2, and precise structure (MW: 197.04 g/mol) have attracted significant attention from researchers exploring drug discovery and material science applications.
In recent years, the demand for 5-Bromo-6-methylpyridine-3-carbonitrile has surged due to its role in developing kinase inhibitors and antiviral agents, aligning with global trends in precision medicine. A 2023 market report highlighted its growing adoption in small-molecule therapeutics, particularly for oncology targets. The compound’s electron-withdrawing groups enhance reactivity in cross-coupling reactions, a feature frequently leveraged in Pd-catalyzed transformations.
From a synthetic perspective, CAS 1256792-16-1 exhibits excellent stability under ambient conditions, with a melting point range of 98–102°C. Its solubility profile (soluble in DMSO, methanol, and dichloromethane) makes it compatible with diverse organic synthesis workflows. Analytical data, including 1H NMR (δ 8.71 ppm for pyridine-H) and HPLC purity (>98%), confirm its suitability for high-throughput screening applications.
Environmental and regulatory considerations for 5-Bromo-6-methyl-3-cyanopyridine (a common synonym) emphasize proper handling under standard laboratory protocols. While not classified as hazardous, its brominated aromatic structure warrants evaluation in green chemistry initiatives. Recent patents (e.g., WO2022155532A1) demonstrate its utility in biodegradable materials, addressing sustainability concerns in the chemical industry.
The compound’s structure-activity relationship (SAR) potential is evidenced by its incorporation into EGFR inhibitors and CDK modulators. Computational studies using molecular docking suggest strong binding affinity with protein targets, explaining its prevalence in medicinal chemistry pipelines. Suppliers typically provide tech-grade and GMP-grade variants, catering to both research and commercial-scale production needs.
Emerging applications include its use in OLED materials, where the cyano-pyridine moiety contributes to electron transport properties. This aligns with the booming flexible electronics market, projected to reach $87 billion by 2027. Furthermore, its derivatization into ligands for catalysis supports advancements in asymmetric synthesis, a hot topic in academic publications.
For researchers sourcing 1256792-16-1, key considerations include batch-to-batch consistency and heavy metal specifications. Leading manufacturers employ QC-validated processes with ISO certification, ensuring compliance with REACH and FDA guidelines. Storage recommendations (-20°C under nitrogen) preserve the compound’s longevity, while MSDS documentation provides detailed safety parameters.
In summary, 5-Bromo-6-methylpyridine-3-carbonitrile represents a multifaceted tool for modern chemistry. Its synergy with AI-driven drug design platforms and automated synthesis technologies positions it as a staple in high-value chemical portfolios. Ongoing research into its structure-property relationships continues to unlock novel applications across interdisciplinary fields.
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