≥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.
| Sonrisas canónicas | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)N |
|---|---|
| IUPAC Name | 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinoline-4-carboxamide |
| InChIKey | IPPYTNWGGOIMDZ-UHFFFAOYSA-N |
| INCHI | 1S/C17H12ClF3N4O2/c1-24(15-13(18)6-9(7-23-15)17(19,20)21)25-8-12(14(22)26)10-4-2-3-5-11(10)16(25)27/h2-8H,1H3,(H2,22,26) |
| Isómeros SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)N |
| PubChem CID | 3252409 |
| Peso molecular | 396.76 |
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 |
| Clase | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Pyridinecarboxylic acids and derivatives Pyridinones Aryl chlorides Benzenoids Imidolactams Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Pyridine carboxylic acid or derivatives - Pyridinone - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Lactam - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| External Descriptors | Not available |
| Peso molecular | 396.700 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 396.06 Da |
| Monoisotopic Mass | 396.06 Da |
| Topological Polar Surface Area | 79.500 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 642.000 |
| 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 |
amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide - ≥90% , CAS No.339106-89-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)