≥97% 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 | COC(=O)C1=NC=CN=C1F |
|---|---|
| IUPAC Name | methyl 3-fluoropyrazine-2-carboxylate |
| InChIKey | YENSZQPOSMPDQW-UHFFFAOYSA-N |
| INCHI | 1S/C6H5FN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3 |
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 |
| Class | Diazines |
| Subclass | Pyrazines |
| Intermediate Tree Nodes | Pyrazine carboxylic acids and derivatives |
| Direct Parent | Pyrazine carboxylic acids |
| Alternative Parents | Vinylogous halides Secondary ketimines Methyl esters Heteroaromatic compounds Imidoyl fluorides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazine carboxylic acid - Heteroaromatic compound - Vinylogous halide - Methyl ester - Secondary ketimine - Ketimine - Imidoyl halide - Imidoyl fluoride - Carboxylic acid ester - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Molecular Weight | 156.110 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 156.034 Da |
| Monoisotopic Mass | 156.034 Da |
| Topological Polar Surface Area | 52.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| 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 |
