≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1CC2=C(C1)C(=NC(=C2C#N)SCC3=C(C=CC=C3Cl)F)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile |
| InChIKey | JIAZVEDGIMSLGF-UHFFFAOYSA-N |
| INCHI | 1S/C22H16ClFN2S/c23-19-10-5-11-20(24)18(19)13-27-22-17(12-25)15-8-4-9-16(15)21(26-22)14-6-2-1-3-7-14/h1-3,5-7,10-11H,4,8-9,13H2 |
| Isómeros SMILES | C1CC2=C(C1)C(=NC(=C2C#N)SCC3=C(C=CC=C3Cl)F)C4=CC=CC=C4 |
| PubChem CID | 3748669 |
| Peso molecular | 394.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Fluorobenzenes Chlorobenzenes Alkylarylthioethers Aryl fluorides Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyridine - Aryl thioether - Chlorobenzene - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl fluoride - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Carbonitrile - Nitrile - Cyanide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Peso molecular | 394.900 g/mol |
|---|---|
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 394.071 Da |
| Monoisotopic Mass | 394.071 Da |
| Topological Polar Surface Area | 62.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 546.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile - ≥90% , CAS No.439096-34-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)