| Canonical Smiles | C1=CC2=C(C=C(C=N2)O)C(=C1)F |
|---|---|
| IUPAC Name | 5-fluoroquinolin-3-ol |
| InChIKey | MFBCSCDTUVFSBG-UHFFFAOYSA-N |
| INCHI | 1S/C9H6FNO/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-5,12H |
| Isomeric SMILES | C1=CC2=C(C=C(C=N2)O)C(=C1)F |
| PubChem CID | 10329605 |
| Molecular Weight | 163.15 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Haloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Haloquinolines |
| Alternative Parents | Hydroxypyridines Benzenoids Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Hydroxypyridine - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 163.150 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 163.043 Da |
| Monoisotopic Mass | 163.043 Da |
| Topological Polar Surface Area | 33.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| 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 |
