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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.
| Canonical Smiles | CCOC(=O)C(=CNC1=C(N=CC=C1)OC)C(=O)OCC |
|---|---|
| IUPAC Name | diethyl 2-[[(2-methoxypyridin-3-yl)amino]methylidene]propanedioate |
| InChIKey | NZPPCTQNAUXHIV-UHFFFAOYSA-N |
| INCHI | 1S/C14H18N2O5/c1-4-20-13(17)10(14(18)21-5-2)9-16-11-7-6-8-15-12(11)19-3/h6-9,16H,4-5H2,1-3H3 |
| Molecular Weight | 294.3 |
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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 | Alkyl aryl ethers Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Enoate esters Enamines Azacyclic compounds Allylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl aryl ether - Aminopyridine - Dicarboxylic acid or derivatives - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Allylamine - Enamine - Ether - Azacycle - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - 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 | 294.300 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 294.122 Da |
| Monoisotopic Mass | 294.122 Da |
| Topological Polar Surface Area | 86.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| 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 |