A1C9T
Summary
| Name: | 5-chloro-N-cyclopropylpyridine-2-carboxamide |
| Formula: | C9 H9 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 196.634 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-chloro-N-cyclopropylpyridine-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-chloranyl-~{N}-cyclopropyl-pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cnc(cc1)C(=O)NC1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9ClN2O/c10-6-1-4-8(11-5-6)9(13)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13) |
| InChIKey | InChI | 1.06 | WXIRTURNONXVMW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(nc1)C(=O)NC2CC2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(nc1)C(=O)NC2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1Cl)C(=O)NC2CC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1Cl)C(=O)NC2CC2 |
