2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one

C8H11NO3 — CID 59223433

IUPAC2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one
SMILESCCc1c(O)c(=O)cc(C)n1O
InChIInChI=1S/C8H11NO3/c1-3-6-8(11)7(10)4-5(2)9(6)12/h4,11-12H,3H2,1-2H3
InChIKeyIOXQEOMOEFLXTB-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.66
Rot. Bonds1

About 2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one

2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one (PubChem CID 59223433) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one
PubChem CID59223433
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one
SMILESCCc1c(O)c(=O)cc(C)n1O
InChIInChI=1S/C8H11NO3/c1-3-6-8(11)7(10)4-5(2)9(6)12/h4,11-12H,3H2,1-2H3
InChIKeyIOXQEOMOEFLXTB-UHFFFAOYSA-N
XLogP0.66
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 2-ethyl-1,3-dihydroxy-6-methylpyridin-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-1,3-dihydroxy-6-methylpyridin-4-one?
The IUPAC name of 2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one (CID 59223433) is 2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one?
The canonical SMILES for 2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one is CCc1c(O)c(=O)cc(C)n1O.
What is the InChIKey of 2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one?
The InChIKey is IOXQEOMOEFLXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-6-8(11)7(10)4-5(2)9(6)12/h4,11-12H,3H2,1-2H3.
What are the key properties of 2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one?
2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dihydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 59223433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).