2-tert-butyl-5-hydroxy-1H-pyridin-4-one

C9H13NO2 — CID 89252637

IUPAC2-tert-butyl-5-hydroxy-1H-pyridin-4-one
SMILESCC(C)(C)c1cc(=O)c(O)c[nH]1
InChIInChI=1S/C9H13NO2/c1-9(2,3)8-4-6(11)7(12)5-10-8/h4-5,12H,1-3H3,(H,10,11)
InChIKeyUJEBMXZZIRAGEH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.38
Rot. Bonds

About 2-tert-butyl-5-hydroxy-1H-pyridin-4-one

2-tert-butyl-5-hydroxy-1H-pyridin-4-one (PubChem CID 89252637) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-tert-butyl-5-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-tert-butyl-5-hydroxy-1H-pyridin-4-one
PubChem CID89252637
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-tert-butyl-5-hydroxy-1H-pyridin-4-one
SMILESCC(C)(C)c1cc(=O)c(O)c[nH]1
InChIInChI=1S/C9H13NO2/c1-9(2,3)8-4-6(11)7(12)5-10-8/h4-5,12H,1-3H3,(H,10,11)
InChIKeyUJEBMXZZIRAGEH-UHFFFAOYSA-N
XLogP1.38
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-5-hydroxy-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-tert-butyl-5-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-tert-butyl-5-hydroxy-1H-pyridin-4-one (CID 89252637) is 2-tert-butyl-5-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-tert-butyl-5-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-tert-butyl-5-hydroxy-1H-pyridin-4-one is CC(C)(C)c1cc(=O)c(O)c[nH]1.
What is the InChIKey of 2-tert-butyl-5-hydroxy-1H-pyridin-4-one?
The InChIKey is UJEBMXZZIRAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(2,3)8-4-6(11)7(12)5-10-8/h4-5,12H,1-3H3,(H,10,11).
What are the key properties of 2-tert-butyl-5-hydroxy-1H-pyridin-4-one?
2-tert-butyl-5-hydroxy-1H-pyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 89252637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).