1-hydroxypyridin-4-one

C5H5NO2 — CID 23321

IUPAC1-hydroxypyridin-4-one
SMILESO=c1ccn(O)cc1
InChIInChI=1S/C5H5NO2/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyNCDOCXYTOYFYHI-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.09
Rot. Bonds

About 1-hydroxypyridin-4-one

1-hydroxypyridin-4-one (PubChem CID 23321) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 1-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-hydroxypyridin-4-one
PubChem CID23321
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name1-hydroxypyridin-4-one
SMILESO=c1ccn(O)cc1
InChIInChI=1S/C5H5NO2/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyNCDOCXYTOYFYHI-UHFFFAOYSA-N
XLogP0.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-4-pyridone
CID 136515
Pyridin-4(1H)-one--water (1/1)
CID 19773970
1-Vinyl-4-pyridone
CID 13695371
4(1H)-Pyridinone, 1-methoxy-
CID 137165
1,5-Dihy-droxy-4-pyridone
CID 18474500
Hydroxypyrrolinone
CID 22486317
1-Fluoropyridin-4(1H)-one
CID 85752505
3-Chloro-4-hydroxypyridine 1-oxide
CID 12255328
4-Pyridone nitrate
CID 129683037
Acetyl-neurine
CID 177806882
1-Hydroxy-2,3-dihydropyridin-4-one
CID 54437755
1-Sulfanylpyridin-4-one
CID 57067594

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyridin-4-one?
The IUPAC name of 1-hydroxypyridin-4-one (CID 23321) is 1-hydroxypyridin-4-one.
What is the SMILES notation for 1-hydroxypyridin-4-one?
The canonical SMILES for 1-hydroxypyridin-4-one is O=c1ccn(O)cc1.
What is the InChIKey of 1-hydroxypyridin-4-one?
The InChIKey is NCDOCXYTOYFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-5-1-3-6(8)4-2-5/h1-4,8H.
What are the key properties of 1-hydroxypyridin-4-one?
1-hydroxypyridin-4-one has a molecular weight of 111.10 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyridin-4-one is sourced from PubChem (CID 23321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).