≥95% 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=C(C=CC=N1)NC(=O)C2=C(C=CC(=C2)F)N |
|---|---|
| IUPAC Name | 2-amino-5-fluoro-N-(2-methoxypyridin-3-yl)benzamide |
| InChIKey | IELBUWZPTXEAOF-UHFFFAOYSA-N |
| INCHI | 1S/C13H12FN3O2/c1-19-13-11(3-2-6-16-13)17-12(18)9-7-8(14)4-5-10(9)15/h2-7H,15H2,1H3,(H,17,18) |
| Isomeric SMILES | COC1=C(C=CC=N1)NC(=O)C2=C(C=CC(=C2)F)N |
| PubChem CID | 43708859 |
| Molecular Weight | 261.25 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminobenzoic acids and derivatives |
| Alternative Parents | 3-halobenzoic acids and derivatives Anthranilamides Aniline and substituted anilines Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Pyridines and derivatives Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anthranilamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoyl - Aniline or substituted anilines - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Pyridine - Aryl halide - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 261.250 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 261.091 Da |
| Monoisotopic Mass | 261.091 Da |
| Topological Polar Surface Area | 77.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| 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 |
