≥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 | C1=CC(=C(C=C1CC2=CN=C3C=CC(=CN3C2=O)C(=O)O)Cl)Cl |
|---|---|
| IUPAC Name | 3-[(3,4-dichlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid |
| InChIKey | ZWSXIHWMGFHQFF-UHFFFAOYSA-N |
| INCHI | 1S/C16H10Cl2N2O3/c17-12-3-1-9(6-13(12)18)5-11-7-19-14-4-2-10(16(22)23)8-20(14)15(11)21/h1-4,6-8H,5H2,(H,22,23) |
| Isomeric SMILES | C1=CC(=C(C=C1CC2=CN=C3C=CC(=CN3C2=O)C(=O)O)Cl)Cl |
| PubChem CID | 25219368 |
| Molecular Weight | 349.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrimidines |
| Alternative Parents | Pyridinecarboxylic acids Dichlorobenzenes Pyrimidones Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. 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 |
| Molecular Weight | 349.200 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 348.007 Da |
| Monoisotopic Mass | 348.007 Da |
| Topological Polar Surface Area | 70.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 666.000 |
| 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 |
![3-(3,4-dichlorobenzyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-7-carboxylic acid - ≥97% CAS No(1089342-78-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D1021177.jpg)