≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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 | C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N(C(=C3C#N)N)N)C#N |
|---|---|
| IUPAC Name | 1,2-diamino-4-(1,3-benzodioxol-5-yl)-6-oxopyridine-3,5-dicarbonitrile |
| InChIKey | JCVXDXVSVBIWLP-UHFFFAOYSA-N |
| INCHI | 1S/C14H9N5O3/c15-4-8-12(9(5-16)14(20)19(18)13(8)17)7-1-2-10-11(3-7)22-6-21-10/h1-3H,6,17-18H2 |
| Isómeros SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N(C(=C3C#N)N)N)C#N |
| PubChem CID | 691005 |
| Peso molecular | 295.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Benzodioxoles 3-pyridinecarbonitriles Pyridinones Aminopyridines and derivatives Dihydropyridines Benzenoids Heteroaromatic compounds Lactams Oxacyclic compounds Acetals Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyridine - Benzodioxole - 3-pyridinecarbonitrile - Aminopyridine - Dihydropyridine - Pyridinone - Hydropyridine - Benzenoid - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Acetal - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Peso molecular | 295.250 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 295.071 Da |
| Monoisotopic Mass | 295.071 Da |
| Topological Polar Surface Area | 138.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 692.000 |
| 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 |
