| Canonical Smiles | C1=CC2=C(C=CC(=C2N=C1)O)CN=[N+]=[N-] |
|---|---|
| IUPAC Name | 5-(azidomethyl)quinolin-8-ol |
| InChIKey | UAKQXPQBTQRSNX-UHFFFAOYSA-N |
| INCHI | 1S/C10H8N4O/c11-14-13-6-7-3-4-9(15)10-8(7)2-1-5-12-10/h1-5,15H,6H2 |
| Molecular Weight | 200.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | 8-hydroxyquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 8-hydroxyquinolines |
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Azo imides Azo compounds Azacyclic compounds Organooxygen compounds Organic zwitterions Organic salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 8-hydroxyquinoline - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Benzenoid - Heteroaromatic compound - Azo imide - Azo compound - Azacycle - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| External Descriptors | Not available |
| Molecular Weight | 200.200 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 200.07 Da |
| Monoisotopic Mass | 200.07 Da |
| Topological Polar Surface Area | 47.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 264.000 |
| 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 |
