≥95% 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.
| ALogP | 1.7 |
|---|
| Canonical Smiles | C1=C(C=NC(=C1F)C(=O)O)C(F)(F)F |
|---|---|
| IUPAC Name | 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylic acid |
| InChIKey | CRZWUUUZTIMHML-UHFFFAOYSA-N |
| INCHI | 1S/C7H3F4NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14) |
| Isomeric SMILES | C1=C(C=NC(=C1F)C(=O)O)C(F)(F)F |
| PubChem CID | 13001835 |
| Molecular Weight | 165.08 |
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 | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Pyridinecarboxylic acids - Pyridine-2-carboxylic acids |
| Direct Parent | 5-alkyl-2-carboxypyrimidines |
| Alternative Parents | Aryl fluorides Vinylogous halides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-alkyl-2-carboxypyrimidine - Aryl fluoride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring. |
| External Descriptors | Not available |
| Molecular Weight | 209.100 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 209.01 Da |
| Monoisotopic Mass | 209.01 Da |
| Topological Polar Surface Area | 50.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 230.000 |
| 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 |
