X4P
Summary
Name: | 2-chloropyridine-4-carboxamide |
Formula: | C6 H5 Cl N2 O |
Formal charge: | 0 |
Formula weight: | 156.57 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-chloropyridine-4-carboxamide |
OpenEye OEToolkits | 2.0.7 | 2-chloranylpyridine-4-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(N)(c1cc(Cl)ncc1)=O |
InChI | InChI | 1.03 | InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10) |
InChIKey | InChI | 1.03 | DEMJOLRJLACBRX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccnc(Cl)c1 |
SMILES | CACTVS | 3.385 | NC(=O)c1ccnc(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1C(=O)N)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1C(=O)N)Cl |