5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one

C10H15NO4 — CID 67963630

IUPAC5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESCCCCOc1cn(O)c(CO)cc1=O
InChIInChI=1S/C10H15NO4/c1-2-3-4-15-10-6-11(14)8(7-12)5-9(10)13/h5-6,12,14H,2-4,7H2,1H3
InChIKeySBHQCOOEZTWTFZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.76
Rot. Bonds5

About 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one

5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one (PubChem CID 67963630) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one.

Molecular Properties

Compound Name5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one
PubChem CID67963630
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESCCCCOc1cn(O)c(CO)cc1=O
InChIInChI=1S/C10H15NO4/c1-2-3-4-15-10-6-11(14)8(7-12)5-9(10)13/h5-6,12,14H,2-4,7H2,1H3
InChIKeySBHQCOOEZTWTFZ-UHFFFAOYSA-N
XLogP0.76
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-butoxy-1-hydroxy-2-(hydroxymethyl)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 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The IUPAC name of 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one (CID 67963630) is 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one.
What is the SMILES notation for 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The canonical SMILES for 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one is CCCCOc1cn(O)c(CO)cc1=O.
What is the InChIKey of 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The InChIKey is SBHQCOOEZTWTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-3-4-15-10-6-11(14)8(7-12)5-9(10)13/h5-6,12,14H,2-4,7H2,1H3.
What are the key properties of 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one?
5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one has a molecular weight of 213.23 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one is sourced from PubChem (CID 67963630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).