analytical standard Analytical standard 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N |
|---|---|
| IUPAC Name | N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide |
| InChIKey | RLQJEEJISHYWON-UHFFFAOYSA-N |
| INCHI | 1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16) |
| Isomeric SMILES | C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N |
| WGK Germany | 2 |
| PubChem CID | 9834513 |
| Molecular Weight | 229.16 |
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 | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Pyridinecarboxamides |
| Direct Parent | Nicotinamides |
| Alternative Parents | Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nicotinamide - Heteroaromatic compound - Carboximidic acid - Carboximidic acid derivative - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. |
| External Descriptors | Pesticides |
| Molecular Weight | 229.160 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 229.046 Da |
| Monoisotopic Mass | 229.046 Da |
| Topological Polar Surface Area | 65.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 307.000 |
| 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 |
| 1. Lei Jiang, Lin Yuan, Shan Gao, Yingying Xiang, Fei Song, Wensi Ma, Jing Wan, Xiuling Ji, Yujiao Tu. (2023) Facile hydrothermal synthesis of N-doped fluorescent carbon dots for selective detection of insecticide parathion. Analytical Methods, 15 (19): (2376-2381). [PMID:37132329] [10.1039/D3AY00124E] |
| 2. Xinyue Huang, Lei Jiang, Lin Yuan, Wensi Ma, Xintao Cui, Jiaxuan Liu, Xiuling Ji, YujiaoTu. (2025) Orange ratiometric fluorescent probe for sensitive detection of phoxim. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:40795714] [10.1016/j.saa.2025.126785] |
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