HNL

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Summary

Name:5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol
Synonyms:6-hydroxy-L-nicotine
Formula:C10 H14 N2 O
Formal charge:0
Molecular weight:178.231 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.025-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol
OpenEye OEToolkits1.6.15-[(1R,2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02n1cc(ccc1O)C2N(C)CCC2
SMILES_CANONICALCACTVS3.352CN1CCC[C@H]1c2ccc(O)nc2
SMILESCACTVS3.352CN1CCC[CH]1c2ccc(O)nc2
SMILES_CANONICALOpenEye OEToolkits1.7.0C[N@@]1CCC[C@H]1c2ccc(nc2)O
SMILESOpenEye OEToolkits1.7.0CN1CCCC1c2ccc(nc2)O
InChIInChI1.03InChI=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-/m0/s1
InChIKeyInChI1.03ATRCOGLZUCICIV-VIFPVBQESA-N
167518
PDB entries from 2020-08-12