≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CC1(OC(=O)C(=CNC2=NC=C(C=C2)Br)C(=O)O1)C |
|---|---|
| IUPAC Name | 5-[[(5-bromopyridin-2-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| InChIKey | QHFOXJGGDKYKFE-UHFFFAOYSA-N |
| INCHI | 1S/C12H11BrN2O4/c1-12(2)18-10(16)8(11(17)19-12)6-15-9-4-3-7(13)5-14-9/h3-6H,1-2H3,(H,14,15) |
| Molecular Weight | 327.13 |
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 |
| Class | Pyridines and derivatives |
| Subclass | Aminopyridines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminopyridines and derivatives |
| Alternative Parents | Ketals 1,3-dioxanes Aryl bromides Imidolactams Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Enoate esters Lactones Oxacyclic compounds Azacyclic compounds Enamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyridine - Ketal - Meta-dioxane - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Imidolactam - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Enamine - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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 |
| Molecular Weight | 327.130 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 325.99 Da |
| Monoisotopic Mass | 325.99 Da |
| Topological Polar Surface Area | 77.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 400.000 |
| 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 |
