≥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 | COC1=CN=C(N=C1NC2=C(C=NC=C2)C(=O)O)C3=C(C=CC(=C3)Cl)F |
|---|---|
| IUPAC Name | 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid |
| InChIKey | FCSABBJJNZXECI-UHFFFAOYSA-N |
| INCHI | 1S/C17H12ClFN4O3/c1-26-14-8-21-15(10-6-9(18)2-3-12(10)19)23-16(14)22-13-4-5-20-7-11(13)17(24)25/h2-8H,1H3,(H,24,25)(H,20,21,22,23) |
| Molecular Weight | 374.8 |
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 | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Alkyl aryl ethers Aminopyridines and derivatives Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Secondary amines Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Alkyl aryl ether - Aminopyridine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Organofluoride - Amine - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 374.800 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 374.058 Da |
| Monoisotopic Mass | 374.058 Da |
| Topological Polar Surface Area | 97.200 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 489.000 |
| 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 |
![4-{[2-(5-Chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino}nicotinic acid - ≥97% , CAS No.674793-52-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)