Determine the necessary mass, volume, or concentration for preparing a solution.
≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)Cl)F |
|---|---|
| IUPAC Name | 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile |
| InChIKey | VJYNNRPTVYPCCS-UHFFFAOYSA-N |
| INCHI | 1S/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H |
| Isómeros SMILES | C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)Cl)F |
| Peso molecular | 232.64 |
| Reaxy-Rn | 398241 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=398241&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | 3-pyridinecarbonitriles Fluorobenzenes 2-halopyridines Aryl fluorides Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyridine - 3-pyridinecarbonitrile - 2-halopyridine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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 | 232.640 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 232.02 Da |
| Monoisotopic Mass | 232.02 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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 |