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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.
| Sonrisas canónicas | C1=C(C=NC(=C1Cl)C2=CN=C(N=C2)N)C(F)(F)F |
|---|---|
| IUPAC Name | 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrimidin-2-amine |
| InChIKey | QONSTICETYKNTD-UHFFFAOYSA-N |
| INCHI | 1S/C10H6ClF3N4/c11-7-1-6(10(12,13)14)4-16-8(7)5-2-17-9(15)18-3-5/h1-4H,(H2,15,17,18) |
| Isómeros SMILES | C1=C(C=NC(=C1Cl)C2=CN=C(N=C2)N)C(F)(F)F |
| PubChem CID | 1483168 |
| Peso molecular | 274.63 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminopyrimidines and derivatives |
| Alternative Parents | Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Alkyl fluoride - Primary amine - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 274.630 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 274.023 Da |
| Monoisotopic Mass | 274.023 Da |
| Topological Polar Surface Area | 64.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 281.000 |
| 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 |