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COCONUT Compound

2-HYDROXYPYRIDINE

CNP0533527.0 · C5H5NO · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name2-HYDROXYPYRIDINE
IUPAC Name1~{H}-pyridin-2-one
COCONUT IDCNP0533527.0
CAS142-08-5, 72762-00-6, 66396-89-2, 930-70-1, 27341-45-3
InChIKeyUBQKCCHYAOITMY-UHFFFAOYSA-N
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
SMILESO=C1C=CC=CN1

Properties

Molecular FormulaC5H5NO
Molecular Weight95.10
Exact Mass95.03711
Log P (ALogP)0.37
TPSA32.86
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.50
NP-likeness-0.49

Classification

NP PathwayAlkaloids
NP SuperclassNicotinic acid alkaloids
NP ClassPyridine alkaloids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassPyridines and derivatives
Chemical SubclassHydropyridines

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT

References (5)

  1. 10.1016/J.INDCROP.2014.04.048
  2. 10.1016/J.TETLET.2010.08.033
  3. 10.1021/AC991142I
  4. 10.1093/pcp/pcn183
  5. 10.3389/FMOLB.2018.00096

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.