| Sonrisas canónicas | C1=NC(=C(C(=O)N1)Br)Cl |
|---|---|
| IUPAC Name | 5-bromo-4-chloro-1H-pyrimidin-6-one |
| InChIKey | DJLOSYPUWAVPKJ-UHFFFAOYSA-N |
| INCHI | 1S/C4H2BrClN2O/c5-2-3(6)7-1-8-4(2)9/h1H,(H,7,8,9) |
| Isómeros SMILES | C1=NC(=C(C(=O)N1)Br)Cl |
| PubChem CID | 135624476 |
| Peso molecular | 209.44 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halopyrimidines |
| Alternative Parents | Pyrimidones Hydropyrimidines Aryl chlorides Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halopyrimidine - Pyrimidone - Aryl bromide - Aryl chloride - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Vinylogous halide - Vinylogous amide - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 209.430 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 207.904 Da |
| Monoisotopic Mass | 207.904 Da |
| Topological Polar Surface Area | 41.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 211.000 |
| 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 |
