Cas no 1260381-90-5 (6-Chloro-3-cyano-5-azaindole)
6-Chloro-3-cyano-5-azaindole Chemical and Physical Properties
Names and Identifiers
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- 4-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
- 6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
- 6-Chloro-3-cyano-5-azaindole
- CS-0131078
- 1H-Pyrrolo[3,2-c]pyridine-3-carbonitrile, 6-chloro-
- SY260000
- I10644
- 1260381-90-5
- 6-Chloro-5-azaindole-3-carbonitrile
- AKOS025149631
- AS-77026
- DB-196977
- MFCD18380880
-
- MDL: MFCD18380880
- Inchi: 1S/C8H4ClN3/c9-8-1-7-6(4-12-8)5(2-10)3-11-7/h1,3-4,11H
- InChI Key: XSKAMWCVBVCUDF-UHFFFAOYSA-N
- SMILES: ClC1=CC2=C(C=N1)C(C#N)=CN2
Computed Properties
- Exact Mass: 177.0093748g/mol
- Monoisotopic Mass: 177.0093748g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 222
- 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: 1.7
- Topological Polar Surface Area: 52.5?2
Experimental Properties
- Density: 1.50
6-Chloro-3-cyano-5-azaindole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029194107-5g |
6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile |
1260381-90-5 | 95% | 5g |
$1474.00 | 2023-09-03 | |
| Alichem | A029194107-10g |
6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile |
1260381-90-5 | 95% | 10g |
$2079.68 | 2023-09-03 | |
| Alichem | A029194107-25g |
6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile |
1260381-90-5 | 95% | 25g |
$3953.07 | 2023-09-03 | |
| Chemenu | CM149384-100mg |
6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile |
1260381-90-5 | 95%+ | 100mg |
$141 | 2021-08-05 | |
| Chemenu | CM149384-250mg |
6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile |
1260381-90-5 | 95%+ | 250mg |
$303 | 2021-08-05 | |
| Chemenu | CM149384-1g |
6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile |
1260381-90-5 | 95%+ | 1g |
$747 | 2021-08-05 | |
| TRC | C585450-1mg |
6-Chloro-3-cyano-5-azaindole |
1260381-90-5 | 1mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C585450-2mg |
6-Chloro-3-cyano-5-azaindole |
1260381-90-5 | 2mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C585450-10mg |
6-Chloro-3-cyano-5-azaindole |
1260381-90-5 | 10mg |
$ 160.00 | 2022-06-06 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-LZ118-200mg |
6-Chloro-3-cyano-5-azaindole |
1260381-90-5 | 95% | 200mg |
1153.0CNY | 2021-07-15 |
6-Chloro-3-cyano-5-azaindole Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Additional information on 6-Chloro-3-cyano-5-azaindole
Comprehensive Overview of 6-Chloro-3-cyano-5-azaindole (CAS No. 1260381-90-5): Properties, Applications, and Research Insights
6-Chloro-3-cyano-5-azaindole (CAS No. 1260381-90-5) is a heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The molecule combines a chloro substituent, a cyano group, and a 5-azaindole core, making it a versatile intermediate for synthesizing bioactive molecules. Researchers and industry professionals frequently search for terms like "6-Chloro-3-cyano-5-azaindole synthesis", "CAS 1260381-90-5 applications", and "5-azaindole derivatives in drug discovery", reflecting its relevance in modern chemistry.
The compound's molecular formula, C8H4ClN3, highlights its compact yet functionalized structure, which is ideal for medicinal chemistry applications. Its chloro and cyano groups serve as reactive handles for further derivatization, enabling the creation of libraries of compounds for high-throughput screening. Recent studies have explored its potential in targeting kinases and other enzymes, aligning with the growing interest in small-molecule inhibitors and precision medicine. Searches for "kinase inhibitors with azaindole scaffolds" and "6-Chloro-3-cyano-5-azaindole solubility" underscore its practical utility.
From a synthetic perspective, 6-Chloro-3-cyano-5-azaindole is often prepared via palladium-catalyzed cross-coupling or nucleophilic aromatic substitution reactions. Its 5-azaindole core is a privileged scaffold in drug design, frequently appearing in FDA-approved drugs and clinical candidates. This has led to increased searches for "azaindole synthesis methods" and "CAS 1260381-90-5 suppliers", particularly among contract research organizations (CROs) and academic labs. The compound's stability under physiological conditions further enhances its appeal for in vitro and in vivo studies.
Environmental and regulatory considerations are also critical for CAS 1260381-90-5. While not classified as hazardous, proper handling protocols are recommended due to its cyano functionality. The compound's low ecotoxicity profile makes it suitable for sustainable chemistry initiatives, a topic gaining traction in searches like "green chemistry azaindoles" and "biodegradable heterocycles". Additionally, its role in crop protection research aligns with the agrochemical industry's focus on eco-friendly pesticides.
In the context of AI-driven drug discovery, 6-Chloro-3-cyano-5-azaindole has emerged as a valuable fragment for virtual screening and machine learning-based molecular optimization. Queries such as "AI in heterocyclic compound design" and "fragment-based drug discovery azaindoles" highlight this intersection of chemistry and technology. The compound's balanced lipophilicity and molecular weight also make it a candidate for blood-brain barrier penetration studies, addressing neurological disease research needs.
Looking ahead, the demand for 6-Chloro-3-cyano-5-azaindole is expected to rise, driven by its adaptability in combinatorial chemistry and structure-activity relationship (SAR) studies. Innovations in continuous flow synthesis and catalytic C-H activation may further streamline its production, reducing costs for large-scale applications. As researchers continue to explore its potential, this compound will likely remain a cornerstone in the development of next-generation therapeutics and agrochemicals.
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