DJ6
Summary
| Name: | 2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide |
| Formula: | C10 H6 Cl2 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 273.138 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 2,5-bis(chloranyl)-N-pyridin-3-yl-thiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(NC(=O)c1cc(sc1Cl)Cl)cnc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15) |
| InChIKey | InChI | 1.03 | XUXVQIKOGRNZPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1sc(Cl)c(c1)C(=O)Nc2cccnc2 |
| SMILES | CACTVS | 3.385 | Clc1sc(Cl)c(c1)C(=O)Nc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl |
