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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 | C1=CC(=NC(=C1)F)NNC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-(6-fluoropyridin-2-yl)acetohydrazide |
| InChIKey | AQFBSTJKGCSIHY-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClF4N4O/c14-8-4-7(13(16,17)18)6-19-9(8)5-12(23)22-21-11-3-1-2-10(15)20-11/h1-4,6H,5H2,(H,20,21)(H,22,23) |
| Isomeric SMILES | C1=CC(=NC(=C1)F)NNC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl |
| PubChem CID | 1491763 |
| Molecular Weight | 348.69 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-halopyridines |
| Alternative Parents | Imidolactams Aryl fluorides Aryl chlorides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Alkyl fluoride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 348.680 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 348.04 Da |
| Monoisotopic Mass | 348.04 Da |
| Topological Polar Surface Area | 66.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 412.000 |
| 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 |