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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CN1C2=C(C=C(C=N2)Cl)NC1=O |
|---|---|
| IUPAC Name | 6-chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2-one |
| InChIKey | UBIAVKDDKVKPDS-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClN3O/c1-11-6-5(10-7(11)12)2-4(8)3-9-6/h2-3H,1H3,(H,10,12) |
| Isómeros SMILES | CN1C2=C(C=C(C=N2)Cl)NC1=O |
| PubChem CID | 657849 |
| Peso molecular | 183.59 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Imidazopyridines |
| Subclass | Imidazopyridinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazopyridinones |
| Alternative Parents | Pyridines and derivatives N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazopyridinone - Aryl chloride - Aryl halide - Pyridine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Urea - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as imidazopyridinones. These are compounds containing an imidazopyridine moiety where the pyridine ring bears a ketone group. |
| External Descriptors | Not available |
| Peso molecular | 183.590 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 183.02 Da |
| Monoisotopic Mass | 183.02 Da |
| Topological Polar Surface Area | 45.200 Ų |
| Heavy Atom Count | 12 |
| 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 |