TI9
Summary
| Name: | 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine |
| Formula: | C11 H12 N2 |
| Formal charge: | 0 |
| Formula weight: | 172.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine |
| OpenEye OEToolkits | 1.9.2 | 3-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CCNC1C#Cc2cnccc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h1,3,7,9,11,13H,2,4,8H2/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | YOOCTKCKTOXZCT-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN[C@@H](C1)C#Cc2cccnc2 |
| SMILES | CACTVS | 3.385 | C1CN[CH](C1)C#Cc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)C#C[C@@H]2CCCN2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)C#CC2CCCN2 |
