≥97% 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 | CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)C3=C(C=C(C(=N3)N)F)F |
|---|---|
| IUPAC Name | ethyl 1-(6-amino-3,5-difluoropyridin-2-yl)-6,7-difluoro-4-oxoquinoline-3-carboxylate |
| InChIKey | NRRZTJOORMEAJX-UHFFFAOYSA-N |
| INCHI | 1S/C17H11F4N3O3/c1-2-27-17(26)8-6-24(16-12(21)4-11(20)15(22)23-16)13-5-10(19)9(18)3-7(13)14(8)25/h3-6H,2H2,1H3,(H2,22,23) |
| Isómeros SMILES | CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)C3=C(C=C(C(=N3)N)F)F |
| PubChem CID | 91800982 |
| Peso molecular | 381.2812 |
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 | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluoroquinolones |
| Alternative Parents | Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Polyhalopyridines Aminopyridines and derivatives Aryl fluorides Benzenoids Imidolactams Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Primary amines Organofluorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Fluoroquinolone - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Polyhalopyridine - Aminopyridine - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Primary amine - Hydrocarbon derivative - Amine - 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 fluoroquinolones. These are compounds containing a fluorine atom attached to a quinolone. Quinolone or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine, and bears a ketone group. |
| External Descriptors | Not available |
| Peso molecular | 381.280 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 381.074 Da |
| Monoisotopic Mass | 381.074 Da |
| Topological Polar Surface Area | 85.500 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 635.000 |
| 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 |
