≥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 | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)O |
|---|---|
| IUPAC Name | 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinoline-4-carboxylic acid |
| InChIKey | LKSIDZXKDRUHTD-UHFFFAOYSA-N |
| INCHI | 1S/C17H11ClF3N3O3/c1-23(14-13(18)6-9(7-22-14)17(19,20)21)24-8-12(16(26)27)10-4-2-3-5-11(10)15(24)25/h2-8H,1H3,(H,26,27) |
| Isomeric SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)O |
| PubChem CID | 3613858 |
| Molecular Weight | 397.74 |
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 | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Pyridinecarboxylic acids Pyridinones Aryl chlorides Benzenoids Imidolactams Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organofluorides Organooxygen compounds Organonitrogen compounds Alkyl fluorides Organochlorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridinone - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 397.700 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 397.044 Da |
| Monoisotopic Mass | 397.044 Da |
| Topological Polar Surface Area | 73.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 643.000 |
| 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-isoquinolinecarboxylic acid - ≥90% , CAS No.339106-81-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)