4-hydroxy-1H-pyridin-2-one

C5H5NO2 — CID 54696004

IUPAC4-hydroxy-1H-pyridin-2-one
SMILESO=c1cc(O)cc[nH]1
InChIInChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
InChIKeyZEZJPIDPVXJEME-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.08
Rot. Bonds

About 4-hydroxy-1H-pyridin-2-one

4-hydroxy-1H-pyridin-2-one (PubChem CID 54696004) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1H-pyridin-2-one
PubChem CID54696004
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name4-hydroxy-1H-pyridin-2-one
SMILESO=c1cc(O)cc[nH]1
InChIInChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
InChIKeyZEZJPIDPVXJEME-UHFFFAOYSA-N
XLogP0.08
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-1H-pyridin-2-one (CID 54696004) is 4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-1H-pyridin-2-one is O=c1cc(O)cc[nH]1.
What is the InChIKey of 4-hydroxy-1H-pyridin-2-one?
The InChIKey is ZEZJPIDPVXJEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8).
What are the key properties of 4-hydroxy-1H-pyridin-2-one?
4-hydroxy-1H-pyridin-2-one has a molecular weight of 111.10 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 54696004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).