HNK

5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol

Created:	2010-06-17
Last modified:	2021-03-01

Find Related PDB Entry
3 entries where HNK is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	6

2D diagram of HNK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol
Synonyms	6-hydroxy-D-nicotine
Systematic Name (OpenEye OEToolkits)	5-[(1S,2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol
Formula	C₁₀ H₁₄ N₂ O
Molecular Weight	178.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cc(ccc1O)C2N(C)CCC2
SMILES	CACTVS	3.370	CN1CCC[CH]1c2ccc(O)nc2
SMILES	OpenEye OEToolkits	1.7.0	CN1CCCC1c2ccc(nc2)O
Canonical SMILES	CACTVS	3.370	CN1CCC[C@@H]1c2ccc(O)nc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[N@]1CCC[C@@H]1c2ccc(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

Related Resource References

Resource Name	Reference
PubChem	439886, 5280562
ChEBI	CHEBI:18226

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.