| Canonical Smiles | C1=CC2=C(C=C(C=N2)O)C(=C1)Cl |
|---|---|
| IUPAC Name | 5-chloroquinolin-3-ol |
| InChIKey | RFHPGQWORGIUFZ-UHFFFAOYSA-N |
| INCHI | 1S/C9H6ClNO/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)Cl |
| PubChem CID | 20493557 |
| Molecular Weight | 179.6 |
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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 | Chloroquinolines |
| Alternative Parents | Hydroxypyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chloroquinoline - Hydroxypyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms. |
| External Descriptors | Not available |
| Molecular Weight | 179.600 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 179.014 Da |
| Monoisotopic Mass | 179.014 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 |
