5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one

C8H11NO3 — CID 70180370

IUPAC5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one
SMILESCC1=C(O)C(=O)C(CCO)C=N1
InChIInChI=1S/C8H11NO3/c1-5-7(11)8(12)6(2-3-10)4-9-5/h4,6,10-11H,2-3H2,1H3
InChIKeyIRIKAOZIJJUDAL-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.43
Rot. Bonds2

About 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one

5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one (PubChem CID 70180370) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one
PubChem CID70180370
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one
SMILESCC1=C(O)C(=O)C(CCO)C=N1
InChIInChI=1S/C8H11NO3/c1-5-7(11)8(12)6(2-3-10)4-9-5/h4,6,10-11H,2-3H2,1H3
InChIKeyIRIKAOZIJJUDAL-UHFFFAOYSA-N
XLogP0.43
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one?
The IUPAC name of 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one (CID 70180370) is 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one.
What is the SMILES notation for 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one?
The canonical SMILES for 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one is CC1=C(O)C(=O)C(CCO)C=N1.
What is the InChIKey of 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one?
The InChIKey is IRIKAOZIJJUDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-7(11)8(12)6(2-3-10)4-9-5/h4,6,10-11H,2-3H2,1H3.
What are the key properties of 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one?
5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(2-hydroxyethyl)-6-methyl-3H-pyridin-4-one is sourced from PubChem (CID 70180370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).