| Pubchem Sid | 488197666 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197666 |
| Canonical Smiles | C1=C(C=NC(=C1O)N)Br |
| IUPAC Name | 2-amino-5-bromopyridin-3-ol |
| InChIKey | YQADLKDQAXAIKW-UHFFFAOYSA-N |
| INCHI | 1S/C5H5BrN2O/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8) |
| Isomeric SMILES | C1=C(C=NC(=C1O)N)Br |
| Molecular Weight | 189.01 |
| Reaxy-Rn | 472262 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472262&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Aminopyridines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminopyridines and derivatives |
| Alternative Parents | Hydroxypyridines Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyridine - Hydroxypyridine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 204-207°C |
| Molecular Weight | 189.010 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 187.959 Da |
| Monoisotopic Mass | 187.959 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| 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 |
K1830076