Cas no 1806850-62-3 (3-Bromo-5-(trifluoromethyl)isonicotinonitrile)
3-Bromo-5-(trifluoromethyl)isonicotinonitrile is a halogenated pyridine derivative featuring both bromo and trifluoromethyl substituents, along with a cyano functional group. This compound is valued for its versatility as a building block in pharmaceutical and agrochemical synthesis, particularly in the development of heterocyclic compounds. The presence of electron-withdrawing groups (trifluoromethyl and cyano) enhances its reactivity in nucleophilic aromatic substitution and cross-coupling reactions, making it useful for constructing complex molecular frameworks. Its stability and well-defined reactivity profile allow for precise modifications in medicinal chemistry applications. The compound is typically handled under standard laboratory conditions, with attention to compatibility in organic synthesis workflows.
1806850-62-3 structure
Product Name:3-Bromo-5-(trifluoromethyl)isonicotinonitrile
CAS No:1806850-62-3
MF:C7H2BrF3N2
MW:251.003390789032
CID:4900594
Update Time:2025-06-06
3-Bromo-5-(trifluoromethyl)isonicotinonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-Bromo-5-(trifluoromethyl)isonicotinonitrile
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- Inchi: 1S/C7H2BrF3N2/c8-6-3-13-2-5(4(6)1-12)7(9,10)11/h2-3H
- InChI Key: SPBSTZCVFCNUJR-UHFFFAOYSA-N
- SMILES: BrC1=CN=CC(C(F)(F)F)=C1C#N
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 232
- XLogP3: 2.1
- Topological Polar Surface Area: 36.7
3-Bromo-5-(trifluoromethyl)isonicotinonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029013402-250mg |
3-Bromo-5-(trifluoromethyl)isonicotinonitrile |
1806850-62-3 | 95% | 250mg |
$1,009.40 | 2022-03-31 | |
| Alichem | A029013402-1g |
3-Bromo-5-(trifluoromethyl)isonicotinonitrile |
1806850-62-3 | 95% | 1g |
$3,039.75 | 2022-03-31 |
3-Bromo-5-(trifluoromethyl)isonicotinonitrile Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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