| Canonical Smiles | C1=C(C=NC(=C1O)C#N)Br |
|---|---|
| IUPAC Name | 5-bromo-3-hydroxypyridine-2-carbonitrile |
| InChIKey | STXULMQDCFXASR-UHFFFAOYSA-N |
| INCHI | 1S/C6H3BrN2O/c7-4-1-6(10)5(2-8)9-3-4/h1,3,10H |
| Isomeric SMILES | C1=C(C=NC(=C1O)C#N)Br |
| PubChem CID | 92132845 |
| Molecular Weight | 199 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Hydroxypyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxypyridines |
| Alternative Parents | Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydroxypyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 199.000 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 197.943 Da |
| Monoisotopic Mass | 197.943 Da |
| Topological Polar Surface Area | 56.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| 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 |
