A1ACR
Summary
| Name: | 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one |
| Formula: | C13 H9 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 294.136 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.7 | 5-[[2,5-bis(chloranyl)pyridin-4-yl]amino]-1,3-dihydroindol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(Nc2cc3CC(=O)Nc3cc2)c(Cl)cn1 |
| InChI | InChI | 1.06 | InChI=1S/C13H9Cl2N3O/c14-9-6-16-12(15)5-11(9)17-8-1-2-10-7(3-8)4-13(19)18-10/h1-3,5-6H,4H2,(H,16,17)(H,18,19) |
| InChIKey | InChI | 1.06 | RHZXOSKCWDIAFP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Nc2ccc3NC(=O)Cc3c2)c(Cl)cn1 |
| SMILES | CACTVS | 3.385 | Clc1cc(Nc2ccc3NC(=O)Cc3c2)c(Cl)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3cc(ncc3Cl)Cl)CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3cc(ncc3Cl)Cl)CC(=O)N2 |
