5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid

C10H13NO4 — CID 165444432

IUPAC5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid
SMILESCCC1(CC)C(=O)N=CC(C(=O)O)=C1O
InChIInChI=1S/C10H13NO4/c1-3-10(4-2)7(12)6(8(13)14)5-11-9(10)15/h5,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyXTMFXUVVAOSWOI-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.30
Rot. Bonds3

About 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid

5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid (PubChem CID 165444432) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid
PubChem CID165444432
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid
SMILESCCC1(CC)C(=O)N=CC(C(=O)O)=C1O
InChIInChI=1S/C10H13NO4/c1-3-10(4-2)7(12)6(8(13)14)5-11-9(10)15/h5,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyXTMFXUVVAOSWOI-UHFFFAOYSA-N
XLogP1.30
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid 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 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid (CID 165444432) is 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid is CCC1(CC)C(=O)N=CC(C(=O)O)=C1O.
What is the InChIKey of 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid?
The InChIKey is XTMFXUVVAOSWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-10(4-2)7(12)6(8(13)14)5-11-9(10)15/h5,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid?
5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 165444432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).