HNK
Summary
Name: | 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol |
Synonyms: | 6-hydroxy-D-nicotine |
Formula: | C10 H14 N2 O |
Formal charge: | 0 |
Formula weight: | 178.231 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol |
OpenEye OEToolkits | 1.7.0 | 5-[(1S,2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cc(ccc1O)C2N(C)CCC2 |
SMILES_CANONICAL | CACTVS | 3.370 | CN1CCC[C@@H]1c2ccc(O)nc2 |
SMILES | CACTVS | 3.370 | CN1CCC[CH]1c2ccc(O)nc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[N@]1CCC[C@@H]1c2ccc(nc2)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCCC1c2ccc(nc2)O |
InChI | InChI | 1.03 | InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m1/s1 |
InChIKey | InChI | 1.03 | ATRCOGLZUCICIV-SECBINFHSA-N |