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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC2=C(C(=C1)F)NC(=O)C=C2C(=O)O |
|---|---|
| IUPAC Name | 8-fluoro-2-oxo-1H-quinoline-4-carboxylic acid |
| InChIKey | CIAQPLJMPBVVCV-UHFFFAOYSA-N |
| INCHI | 1S/C10H6FNO3/c11-7-3-1-2-5-6(10(14)15)4-8(13)12-9(5)7/h1-4H,(H,12,13)(H,14,15) |
| Molecular Weight | 207.16 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Quinoline carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxylic acids |
| Alternative Parents | Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Pyridinones Aryl fluorides Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-4-carboxylic acid - Dihydroquinolone - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridinone - Benzenoid - Aryl halide - Pyridine - Aryl fluoride - Heteroaromatic compound - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
| External Descriptors | Not available |
| Molecular Weight | 207.160 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 207.033 Da |
| Monoisotopic Mass | 207.033 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 340.000 |
| 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 |