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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC1=NC2=C(C=C1)NC=C(C2=O)C(=O)O |
|---|---|
| IUPAC Name | 6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid |
| InChIKey | WDXGZPGBPUNRNK-UHFFFAOYSA-N |
| INCHI | 1S/C11H10N2O4/c1-2-17-8-4-3-7-9(13-8)10(14)6(5-12-7)11(15)16/h3-5H,2H2,1H3,(H,12,14)(H,15,16) |
| Molecular Weight | 234.21 |
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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 Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Vinylogous amide - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen 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 |
| Molecular Weight | 234.210 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 234.064 Da |
| Monoisotopic Mass | 234.064 Da |
| Topological Polar Surface Area | 88.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| 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 |