3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one

C8H11NO3 — CID 67472987

IUPAC3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(C(C)O)c(=O)c1O
InChIInChI=1S/C8H11NO3/c1-4-7(11)8(12)6(3-9-4)5(2)10/h3,5,10-11H,1-2H3,(H,9,12)
InChIKeyTZIRGFRVKARWLY-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.44
Rot. Bonds1

About 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one

3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one (PubChem CID 67472987) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one
PubChem CID67472987
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(C(C)O)c(=O)c1O
InChIInChI=1S/C8H11NO3/c1-4-7(11)8(12)6(3-9-4)5(2)10/h3,5,10-11H,1-2H3,(H,9,12)
InChIKeyTZIRGFRVKARWLY-UHFFFAOYSA-N
XLogP0.44
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one (CID 67472987) is 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one is Cc1[nH]cc(C(C)O)c(=O)c1O.
What is the InChIKey of 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is TZIRGFRVKARWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-7(11)8(12)6(3-9-4)5(2)10/h3,5,10-11H,1-2H3,(H,9,12).
What are the key properties of 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one?
3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(1-hydroxyethyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 67472987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).