AO4
Summary
| Name: | 2-chloropyridine-4-carboxylic acid |
| Formula: | C6 H4 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 157.554 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloropyridine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 2-chloranylpyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccnc(c1)Cl)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10) |
| InChIKey | InChI | 1.03 | QXCOHSRHFCHCHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc(Cl)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccnc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(cc1C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(cc1C(=O)O)Cl |
