VRM
Summary
| Name: | 3-(3-methyl-1H-pyrazol-5-yl)pyridine |
| Formula: | C9 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 159.188 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3-methyl-1H-pyrazol-5-yl)pyridine |
| OpenEye OEToolkits | 2.0.7 | 3-(3-methyl-1~{H}-pyrazol-5-yl)pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(C)nn1)c2cnccc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3/c1-7-5-9(12-11-7)8-3-2-4-10-6-8/h2-6H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | CGQOLRWLPQPKLV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc([nH]n1)c2cccnc2 |
| SMILES | CACTVS | 3.385 | Cc1cc([nH]n1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc([nH]n1)c2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc([nH]n1)c2cccnc2 |
