FN1
Summary
| Name: | 5-fluoronicotine |
| Synonyms: | 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| Formula: | C10 H13 F N2 |
| Formal charge: | 0 |
| Formula weight: | 180.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| OpenEye OEToolkits | 1.9.2 | 3-fluoranyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cncc(c1)C2CCCN2C |
| InChI | InChI | 1.03 | InChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | WEACEDDYURLEPK-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@H]1c2cncc(F)c2 |
| SMILES | CACTVS | 3.385 | CN1CCC[CH]1c2cncc(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCC[C@H]1c2cc(cnc2)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCCC1c2cc(cnc2)F |
