≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CN1C=CC=C1C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(1-methylpyrrol-2-yl)acetonitrile |
| InChIKey | JTNPPBPABKEVAW-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClF3N3/c1-20-4-2-3-11(20)9(6-18)12-10(14)5-8(7-19-12)13(15,16)17/h2-5,7,9H,1H3 |
| Isomeric SMILES | CN1C=CC=C1C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl |
| PubChem CID | 3401037 |
| Molecular Weight | 299.68 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridines and derivatives |
| Alternative Parents | N-methylpyrroles Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Aryl halide - N-methylpyrrole - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carbonitrile - Nitrile - Azacycle - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 299.680 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 299.044 Da |
| Monoisotopic Mass | 299.044 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile - ≥90% , CAS No.338407-38-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)