2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one

C8H11NO2 — CID 164681122

IUPAC2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one
SMILESCCc1[nH]c(C)cc(=O)c1O
InChIInChI=1S/C8H11NO2/c1-3-6-8(11)7(10)4-5(2)9-6/h4,11H,3H2,1-2H3,(H,9,10)
InChIKeyYSUWERNWPPIMOE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds1

About 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one

2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one (PubChem CID 164681122) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one
PubChem CID164681122
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one
SMILESCCc1[nH]c(C)cc(=O)c1O
InChIInChI=1S/C8H11NO2/c1-3-6-8(11)7(10)4-5(2)9-6/h4,11H,3H2,1-2H3,(H,9,10)
InChIKeyYSUWERNWPPIMOE-UHFFFAOYSA-N
XLogP0.95
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3-hydroxy-6-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 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one (CID 164681122) is 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one is CCc1[nH]c(C)cc(=O)c1O.
What is the InChIKey of 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one?
The InChIKey is YSUWERNWPPIMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6-8(11)7(10)4-5(2)9-6/h4,11H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one?
2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 164681122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).