≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,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.
| Pubchem Sid | 528756861 |
|---|---|
| Canonical Smiles | C1=C(C=NC(=C1C#N)Cl)C(F)(F)F |
| IUPAC Name | 2-chloro-5-(trifluoromethyl)pyridine-3-carbonitrile |
| InChIKey | BWFBFKPZLKQYPR-UHFFFAOYSA-N |
| INCHI | 1S/C7H2ClF3N2/c8-6-4(2-12)1-5(3-13-6)7(9,10)11/h1,3H |
| Isomeric SMILES | C1=C(C=NC(=C1C#N)Cl)C(F)(F)F |
| PubChem CID | 20071599 |
| Molecular Weight | 206.55 |
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 |
| Class | Pyridines and derivatives |
| Subclass | 3-pyridinecarbonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-pyridinecarbonitriles |
| Alternative Parents | 2-halopyridines Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-pyridinecarbonitrile - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Cyanide - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 206.550 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 205.986 Da |
| Monoisotopic Mass | 205.986 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 232.000 |
| 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 |
K2510324