WNS
Summary
Name: | N-(2-chloropyridin-3-yl)butanamide |
Formula: | C9 H11 Cl N2 O |
Formal charge: | 0 |
Formula weight: | 198.649 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-(2-chloropyridin-3-yl)butanamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-(2-chloranylpyridin-3-yl)butanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccc(NC(CCC)=O)c(n1)Cl |
InChI | InChI | 1.03 | InChI=1S/C9H11ClN2O/c1-2-4-8(13)12-7-5-3-6-11-9(7)10/h3,5-6H,2,4H2,1H3,(H,12,13) |
InChIKey | InChI | 1.03 | UYVCKWSCSBBXER-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)Nc1cccnc1Cl |
SMILES | CACTVS | 3.385 | CCCC(=O)Nc1cccnc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(=O)Nc1cccnc1Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(=O)Nc1cccnc1Cl |