9F6
Summary
| Name: | (2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one |
| Formula: | C14 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 225.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one |
| OpenEye OEToolkits | 2.0.6 | (~{E})-1-(2-hydroxyphenyl)-3-pyridin-3-yl-prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccccc1C(=O)[C@H]=[C@H]c2cnccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H11NO2/c16-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-15-10-11/h1-10,16H/b8-7+ |
| InChIKey | InChI | 1.03 | CRWNZUBUBIULHB-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1C(=O)/C=C/c2cccnc2 |
| SMILES | CACTVS | 3.385 | Oc1ccccc1C(=O)C=Cc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)/C=C/c2cccnc2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)C=Cc2cccnc2)O |
