≥97% 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 | CC(C)(C)C(=O)OCC1=C(C=CC(=C1)C2=NC3=C(C=C2)C(=NC(=N3)Cl)Cl)OC |
|---|---|
| IUPAC Name | [5-(2,4-dichloropyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methyl 2,2-dimethylpropanoate |
| InChIKey | JXJZCYZMHHQKEE-UHFFFAOYSA-N |
| INCHI | 1S/C20H19Cl2N3O3/c1-20(2,3)18(26)28-10-12-9-11(5-8-15(12)27-4)14-7-6-13-16(21)24-19(22)25-17(13)23-14/h5-9H,10H2,1-4H3 |
| Isomeric SMILES | CC(C)(C)C(=O)OCC1=C(C=CC(=C1)C2=NC3=C(C=C2)C(=NC(=N3)Cl)Cl)OC |
| PubChem CID | 58015472 |
| Molecular Weight | 420.3 |
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 |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Pyrido[2,3-d]pyrimidines Benzyloxycarbonyls Phenoxy compounds Anisoles Methoxybenzenes 2-halopyrimidines Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyridine - Benzyloxycarbonyl - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Halopyrimidine - Alkyl aryl ether - 2-halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 420.300 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 419.08 Da |
| Monoisotopic Mass | 419.08 Da |
| Topological Polar Surface Area | 74.200 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 545.000 |
| 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 |
![(5-{2,4-Dichloropyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methyl 2,2-dimethylpropanoate - ≥97% CAS No(1201798-97-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D972384.jpg)