| Canonical Smiles | C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)O)Br |
|---|---|
| IUPAC Name | 5-bromo-8-hydroxyquinoline-7-carboxylic acid |
| InChIKey | DJIAZMRXYMCZDT-UHFFFAOYSA-N |
| INCHI | 1S/C10H6BrNO3/c11-7-4-6(10(14)15)9(13)8-5(7)2-1-3-12-8/h1-4,13H,(H,14,15) |
| Isomeric SMILES | C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)O)Br |
| PubChem CID | 14534768 |
| Molecular Weight | 268.06 |
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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 | 8-hydroxyquinolines Hydroxyquinolines Haloquinolines Salicylic acid and derivatives 3-halobenzoic acids Halobenzoic acids P-bromophenols Pyridines and derivatives Aryl bromides Vinylogous acids Heteroaromatic compounds Azacyclic compounds Carboxylic acids Organonitrogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-7-carboxylic acid - Hydroxyquinoline - 8-hydroxyquinoline - Haloquinoline - Hydroxybenzoic acid - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - 4-halophenol - 4-bromophenol - Phenol - Aryl halide - Pyridine - Aryl bromide - Benzenoid - Heteroaromatic compound - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - 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 | 268.060 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 266.953 Da |
| Monoisotopic Mass | 266.953 Da |
| Topological Polar Surface Area | 70.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| 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 |
