NMJ
Summary
| Name: | 6-chloropyrazine-2-carboxylic acid |
| Formula: | C5 H3 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 158.543 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloropyrazine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 6-chloranylpyrazine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(C(O)=O)nc(cn1)Cl |
| InChI | InChI | 1.03 | InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10) |
| InChIKey | InChI | 1.03 | KGGYMBKTQCLOTE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cncc(Cl)n1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cncc(Cl)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nc(cn1)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nc(cn1)Cl)C(=O)O |
