BioReagent BioReagent 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.
| Canonical Smiles | C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F |
|---|---|
| IUPAC Name | 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid |
| InChIKey | WUWFMDMBOJLQIV-UHFFFAOYSA-N |
| INCHI | 1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29) |
| Isomeric SMILES | C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F |
| Alternate CAS | 100490-36-6,100490-94-6 (4-toluene sulfonate) |
| PubChem CID | 5517 |
| MeSH Entry Terms | 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid;7-(3-aminopyrrolin-1-yl)-1-(2,4-diflurophenyl)-1.4-dihydro-6-fluoro-4-oxo-1,8-napthyridine-3-carboxylic acid;A 60969;A 61827;A-60969;A-61827;A |
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 | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridine carboxylic acids and derivatives |
| Alternative Parents | Fluoroquinolones Pyridinecarboxylic acids Dialkylarylamines Aminopyridines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Vinylogous amides Heteroaromatic compounds Pyrrolidines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine carboxylic acid - Fluoroquinolone - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aminopyridine - Fluorobenzene - Halobenzene - Imidolactam - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Pyrrolidine - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group. |
| External Descriptors | organofluorine compound - tertiary amino compound - monocarboxylic acid - primary amino compound - aminopyrrolidine - amino acid - 1,8-naphthyridine derivative - quinolone antibiotic |
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| Molecular Weight | 404.300 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 404.11 Da |
| Monoisotopic Mass | 404.11 Da |
| Topological Polar Surface Area | 99.800 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 708.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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