4-hydroxy-4H-pyridin-3-one

C5H5NO2 — CID 173122938

IUPAC4-hydroxy-4H-pyridin-3-one
SMILESO=C1C=NC=CC1O
InChIInChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-4,7H
InChIKeyJZKXEYGQGHXVBQ-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.49
Rot. Bonds

About 4-hydroxy-4H-pyridin-3-one

4-hydroxy-4H-pyridin-3-one (PubChem CID 173122938) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 4-hydroxy-4H-pyridin-3-one.

Molecular Properties

Compound Name4-hydroxy-4H-pyridin-3-one
PubChem CID173122938
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name4-hydroxy-4H-pyridin-3-one
SMILESO=C1C=NC=CC1O
InChIInChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-4,7H
InChIKeyJZKXEYGQGHXVBQ-UHFFFAOYSA-N
XLogP-0.49
TPSA49.66 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 ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4H-pyridin-3-one?
The IUPAC name of 4-hydroxy-4H-pyridin-3-one (CID 173122938) is 4-hydroxy-4H-pyridin-3-one.
What is the SMILES notation for 4-hydroxy-4H-pyridin-3-one?
The canonical SMILES for 4-hydroxy-4H-pyridin-3-one is O=C1C=NC=CC1O.
What is the InChIKey of 4-hydroxy-4H-pyridin-3-one?
The InChIKey is JZKXEYGQGHXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-4,7H.
What are the key properties of 4-hydroxy-4H-pyridin-3-one?
4-hydroxy-4H-pyridin-3-one has a molecular weight of 111.10 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4H-pyridin-3-one is sourced from PubChem (CID 173122938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).