≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | COC(=O)C1=CN=CC(=C1)C#N |
|---|---|
| IUPAC Name | methyl 5-cyanopyridine-3-carboxylate |
| InChIKey | RLUVYUFWNPLVPL-UHFFFAOYSA-N |
| INCHI | 1S/C8H6N2O2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,1H3 |
| Isómeros SMILES | COC(=O)C1=CN=CC(=C1)C#N |
| CAS alternativo | 106726-82-3 |
| PubChem CID | 13623673 |
| Peso molecular | 162.15g/mol |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | 3-pyridinecarbonitriles Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - 3-pyridinecarbonitrile - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 I2403097 | Certificate of Analysis | Jun 03, 2024 | M682716 |
| I2403098 | Certificate of Analysis | Jun 03, 2024 | M682716 |
| I2403099 | Certificate of Analysis | Jun 03, 2024 | M682716 |
| I2403100 | Certificate of Analysis | Jun 03, 2024 | M682716 |
| I2403101 | Certificate of Analysis | Jun 03, 2024 | M682716 |
| I2403102 | Certificate of Analysis | Jun 03, 2024 | M682716 |
| I2403475 | Certificate of Analysis | Jun 03, 2024 | M682716 |
| Sensibilidad | light sensitive |
|---|---|
| Peso molecular | 162.150 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 162.043 Da |
| Monoisotopic Mass | 162.043 Da |
| Topological Polar Surface Area | 63.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 218.000 |
| 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 |
