≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| ALogP | 2 |
|---|
| Sonrisas canónicas | CC1=C(C=C(C(=N1)Cl)C#N)F |
|---|---|
| InChIKey | OUBNCYKNWLEGFY-UHFFFAOYSA-N |
| INCHI | 1S/C7H4ClFN2/c1-4-6(9)2-5(3-10)7(8)11-4/h2H,1H3 |
| Isómeros SMILES | CC1=C(C=C(C(=N1)Cl)C#N)F |
| PubChem CID | 21928355 |
| Peso molecular | 170.57 |
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 | 3-pyridinecarbonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-pyridinecarbonitriles |
| Alternative Parents | Polyhalopyridines Methylpyridines 2-halopyridines Aryl fluorides Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - 3-pyridinecarbonitrile - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Cyanide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group. |
| External Descriptors | Not available |
| Peso molecular | 170.570 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 170.005 Da |
| Monoisotopic Mass | 170.005 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 |
