≥95% 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.
| Canonical Smiles | C1CN(CCN1C2=CC=C(C=C2)C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]benzonitrile |
| InChIKey | PYICUCWRPVPFAU-UHFFFAOYSA-N |
| INCHI | 1S/C17H14ClF3N4/c18-15-9-13(17(19,20)21)11-23-16(15)25-7-5-24(6-8-25)14-3-1-12(10-22)2-4-14/h1-4,9,11H,5-8H2 |
| Isomeric SMILES | C1CN(CCN1C2=CC=C(C=C2)C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| PubChem CID | 2773901 |
| Molecular Weight | 366.77 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | Phenylpiperazines N-arylpiperazines Aniline and substituted anilines Dialkylarylamines Benzonitriles Aminopyridines and derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organochlorides Organofluorides Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - Pyridinylpiperazine - N-arylpiperazine - Benzonitrile - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aminopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary amine - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Amine - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Molecular Weight | 366.800 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 366.086 Da |
| Monoisotopic Mass | 366.086 Da |
| Topological Polar Surface Area | 43.200 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 490.000 |
| 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 |
![4-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}benzenecarbonitrile - ≥95% , CAS No.338979-20-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)