QC2
Summary
| Name: | 2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid |
| Formula: | C15 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 281.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccnc(c1)n2nccc2c3cc(O)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H11N3O3/c19-12-3-1-2-10(8-12)13-5-7-17-18(13)14-9-11(15(20)21)4-6-16-14/h1-9,19H,(H,20,21) |
| InChIKey | InChI | 1.03 | QVSDPEWGBYKEDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)c2ccnn2c3cc(ccn3)C(O)=O |
| SMILES | CACTVS | 3.385 | Oc1cccc(c1)c2ccnn2c3cc(ccn3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O |
