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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.
Description
2-Amino-7-bromo-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile is an halogenated heterocycle.
| Sonrisas canónicas | C1=CC2=C(C=C1Br)C(=O)C3=C(O2)N=C(C(=C3)C#N)N |
|---|---|
| IUPAC Name | 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carbonitrile |
| InChIKey | UFLWUJOAQJLVMJ-UHFFFAOYSA-N |
| INCHI | 1S/C13H6BrN3O2/c14-7-1-2-10-8(4-7)11(18)9-3-6(5-15)12(16)17-13(9)19-10/h1-4H,(H2,16,17) |
| Isómeros SMILES | C1=CC2=C(C=C1Br)C(=O)C3=C(O2)N=C(C(=C3)C#N)N |
| WGK Alemania | 3 |
| Peso molecular | 316.11 |
| Reaxy-Rn | 14256870 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14256870&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Chromones |
| Direct Parent | Chromeno[2,3-b]pyridine-5-ones |
| Alternative Parents | Chromenopyridines Pyranopyridines Pyranones and derivatives Aminopyridines and derivatives Aryl bromides Benzenoids Imidolactams Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Nitriles Organobromides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromeno[2,3-b]pyridine-5-one - Chromenopyridine - Pyranopyridine - Aminopyridine - Pyranone - Aryl bromide - Aryl halide - Pyran - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Oxacycle - Nitrile - Carbonitrile - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chromeno[2,3-b]pyridine-5-ones. These are compounds containing a Chromeno[2,3-b]pyridine moiety that carries an oxo group at the 5-position. |
| External Descriptors | Not available |
| Peso molecular | 316.110 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 314.964 Da |
| Monoisotopic Mass | 314.964 Da |
| Topological Polar Surface Area | 89.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 435.000 |
| 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 |