≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=C(C(=NC=C1)C(C)C)N2C3=NC(=C(C=C3C(=O)NC2=O)F)Cl |
|---|---|
| IUPAC Name | 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4-dione |
| InChIKey | OXJTVPMAMRSGNT-UHFFFAOYSA-N |
| INCHI | 1S/C16H14ClFN4O2/c1-7(2)11-12(8(3)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(18)13(17)20-14/h4-7H,1-3H3,(H,21,23,24) |
| Isomeric SMILES | CC1=C(C(=NC=C1)C(C)C)N2C3=NC(=C(C=C3C(=O)NC2=O)F)Cl |
| Alternate CAS | 2252403-82-8 |
| PubChem CID | 135379087 |
| Molecular Weight | 348.76 |
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 | Pyridopyrimidines |
| Subclass | Pyrido[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrido[2,3-d]pyrimidines |
| Alternative Parents | Polyhalopyridines Pyrimidones Methylpyridines 2-halopyridines Vinylogous amides Heteroaromatic compounds Organic carbonic acids and derivatives Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido[2,3-d]pyrimidine - Polyhalopyridine - 2-halopyridine - Methylpyridine - Pyrimidone - Pyrimidine - Pyridine - Heteroaromatic compound - Vinylogous amide - Carbonic acid derivative - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position. |
| External Descriptors | Not available |
| Molecular Weight | 348.760 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 348.079 Da |
| Monoisotopic Mass | 348.079 Da |
| Topological Polar Surface Area | 75.200 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 520.000 |
| 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 |
