≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Sonrisas canónicas | CC1=NC(=CC=C1)C2=CC(=C(C=C2)C3=CC4=CN=C(N=C4N(C3=O)CC5OCC(CO5)N)NC)Cl |
|---|---|
| IUPAC Name | 8-[(5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
| InChIKey | ZBCMHWUFWQFPLV-UHFFFAOYSA-N |
| INCHI | 1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31) |
| Isómeros SMILES | CC1=NC(=CC=C1)C2=CC(=C(C=C2)C3=CC4=CN=C(N=C4N(C3=O)CC5OCC(CO5)N)NC)Cl |
| Peso molecular | 492.96 |
| Reaxy-Rn | 27752402 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27752402&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Pyrido[2,3-d]pyrimidines Secondary alkylarylamines Pyridinones Aminopyrimidines and derivatives Chlorobenzenes Methylpyridines 1,3-dioxanes Aryl chlorides Heteroaromatic compounds Lactams Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyridine - 3-phenylpyridine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Aminopyrimidine - Chlorobenzene - Halobenzene - Pyridinone - Secondary aliphatic/aromatic amine - Methylpyridine - Benzenoid - Aryl chloride - Pyrimidine - Meta-dioxane - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Acetal - Organic oxide - Organohalogen compound - Primary aliphatic amine - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Primary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
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| Solubilidad | Solvent:1eq. HCl, Max Conc. mg/mL: 49.3, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 9.86, Max Conc. mM: 20 with gentle warming |
|---|---|
| Sensibilidad | Moisture sensitive |
| Peso molecular | 493.000 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 492.168 Da |
| Monoisotopic Mass | 492.168 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 778.000 |
| 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 |
