2,3-dihydroxypyridine

Synonyms: "2,3-pyridinediol", "pyridine-2,3-diol", "2(1H)-pyridinone", "2(1H)-pyridone", "3-hydroxy-2-pyridone", "3-hydroxypyridin-2(1H)-one", "3-hydroxy-1H-pyridin-2-one"

Source: 2,3-dihydroxypyridine is used as pharmaceutical intermediate.

Identifiers:

IUPAC Name: 3-hydroxy-1H-pyridin-2-one
CAS Number: 16867-04-2
PubChem ID: 28115
InChiKey: GGOZGYRTNQBSSA-UHFFFAOYSA-N
Canonical SMILES: C1=CNC(=O)C(=C1)O

Structural Properties:

Molecular Formula: C5H5NO2
Molecular Weight: 111,0987

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 8

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3D structure (.sdf)
3D structure (.mol2)
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3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Lindsay RH, Hill JB, Gaitan E, Cooksey RC, Jolley RL. 1992. Antithyroid effects of coal-derived pollutants. J Toxicol Environ Health 37(4):467-481.

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Keywords


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3D-structure

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