QKW
Summary
| Name: | (4-chlorophenyl)methyl pyridine-3-carboxylate |
| Formula: | C13 H10 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 247.677 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4-chlorophenyl)methyl pyridine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10ClNO2/c14-12-5-3-10(4-6-12)9-17-13(16)11-2-1-7-15-8-11/h1-8H,9H2 |
| InChIKey | InChI | 1.03 | FLUZHFKASOGKOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(COC(=O)c2cccnc2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(COC(=O)c2cccnc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl |
