9FG
Summary
| Name: | 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile |
| Formula: | C12 H9 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 216.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile |
| OpenEye OEToolkits | 2.0.6 | 5-(2-fluoranyl-4-oxidanyl-phenyl)-1-methyl-pyrrole-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1n(c(cc1)c2c(F)cc(cc2)O)C)#N |
| InChI | InChI | 1.03 | InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3 |
| InChIKey | InChI | 1.03 | WVKAVGHFAICIIO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(ccc1c2ccc(O)cc2F)C#N |
| SMILES | CACTVS | 3.385 | Cn1c(ccc1c2ccc(O)cc2F)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(ccc1c2ccc(cc2F)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(ccc1c2ccc(cc2F)O)C#N |
