≥95% 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 | CCOC(=O)C1=C(C2=C(N=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3)O |
|---|---|
| IUPAC Name | ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate |
| InChIKey | JMLOKZZQNYIHNU-UHFFFAOYSA-N |
| INCHI | 1S/C18H15ClN2O4/c1-2-25-18(24)14-15(22)13-8-12(19)9-20-16(13)21(17(14)23)10-11-6-4-3-5-7-11/h3-9,22H,2,10H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=C(C2=C(N=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3)O |
| PubChem CID | 54692180 |
| Molecular Weight | 358.78 |
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 |
| Class | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridine carboxylic acids and derivatives |
| Alternative Parents | Pyridinecarboxylic acids Pyridinones Hydroxypyridines Aryl chlorides Benzene and substituted derivatives Vinylogous amides Vinylogous acids Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Hydroxypyridine - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Lactam - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group. |
| External Descriptors | Not available |
| Melt Point(°C) | 152-154° |
|---|---|
| Molecular Weight | 358.800 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 358.072 Da |
| Monoisotopic Mass | 358.072 Da |
| Topological Polar Surface Area | 79.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 559.000 |
| 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 |
