14C
Summary
| Name: | 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione |
| Formula: | C14 H9 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 272.686 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione |
| OpenEye OEToolkits | 1.5.0 | 2-(2-chloropyridin-4-yl)-4-methyl-isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1nccc(c1)N3C(=O)c2cccc(c2C3=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc2C(=O)N(c3ccnc(Cl)c3)C(=O)c12 |
| SMILES | CACTVS | 3.341 | Cc1cccc2C(=O)N(c3ccnc(Cl)c3)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H9ClN2O2/c1-8-3-2-4-10-12(8)14(19)17(13(10)18)9-5-6-16-11(15)7-9/h2-7H,1H3 |
| InChIKey | InChI | 1.03 | YDJMWNHJNJVVMM-UHFFFAOYSA-N |
