≥90% 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 | C1=CC(=CN=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)O)F |
|---|---|
| IUPAC Name | (E)-2-cyano-N-(2-fluoro-4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enamide |
| InChIKey | MTROKAYXBYUXTA-IZZDOVSWSA-N |
| INCHI | 1S/C15H10FN3O2/c16-13-7-12(20)3-4-14(13)19-15(21)11(8-17)6-10-2-1-5-18-9-10/h1-7,9,20H,(H,19,21)/b11-6+ |
| Isomeric SMILES | C1=CC(=CN=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)O)F |
| PubChem CID | 5919042 |
| Molecular Weight | 283.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | N-arylamides M-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anilide - 3-halophenol - 3-fluorophenol - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. |
| External Descriptors | Not available |
| Molecular Weight | 283.260 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 283.076 Da |
| Monoisotopic Mass | 283.076 Da |
| Topological Polar Surface Area | 86.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 457.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
