RefMet Compound Details

MW structure49966 (View MW Metabolite Database details)
RefMet name3-Hydroxypyridine
Systematic namepyridin-3-ol
SMILESc1cc(cnc1)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass95.037114 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H5NOView other entries in RefMet with this formula
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
InChIKeyGRFNBEZIAWKNCO-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassNicotinic acid alkaloids
Sub ClassPyridine alkaloids
Pubchem CID7971
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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