5,5-dimethyl-6-oxopyridine-3-carboxylic acid

C8H9NO3 — CID 91486078

IUPAC5,5-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCC1(C)C=C(C(=O)O)C=NC1=O
InChIInChI=1S/C8H9NO3/c1-8(2)3-5(6(10)11)4-9-7(8)12/h3-4H,1-2H3,(H,10,11)
InChIKeyLIEJRYQBHGMIMR-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.63
Rot. Bonds1

About 5,5-dimethyl-6-oxopyridine-3-carboxylic acid

5,5-dimethyl-6-oxopyridine-3-carboxylic acid (PubChem CID 91486078) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5,5-dimethyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethyl-6-oxopyridine-3-carboxylic acid
PubChem CID91486078
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name5,5-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCC1(C)C=C(C(=O)O)C=NC1=O
InChIInChI=1S/C8H9NO3/c1-8(2)3-5(6(10)11)4-9-7(8)12/h3-4H,1-2H3,(H,10,11)
InChIKeyLIEJRYQBHGMIMR-UHFFFAOYSA-N
XLogP0.63
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-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-dimethyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5,5-dimethyl-6-oxopyridine-3-carboxylic acid (CID 91486078) is 5,5-dimethyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5,5-dimethyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5,5-dimethyl-6-oxopyridine-3-carboxylic acid is CC1(C)C=C(C(=O)O)C=NC1=O.
What is the InChIKey of 5,5-dimethyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is LIEJRYQBHGMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-8(2)3-5(6(10)11)4-9-7(8)12/h3-4H,1-2H3,(H,10,11).
What are the key properties of 5,5-dimethyl-6-oxopyridine-3-carboxylic acid?
5,5-dimethyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 91486078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).