2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid

C11H15NO3 — CID 90041042

IUPAC2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
SMILESCCC(C)c1[nH]c(C)cc(=O)c1C(=O)O
InChIInChI=1S/C11H15NO3/c1-4-6(2)10-9(11(14)15)8(13)5-7(3)12-10/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyBERHXMDRAZJCRL-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.90
Rot. Bonds3

About 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid

2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 90041042) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
PubChem CID90041042
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
SMILESCCC(C)c1[nH]c(C)cc(=O)c1C(=O)O
InChIInChI=1S/C11H15NO3/c1-4-6(2)10-9(11(14)15)8(13)5-7(3)12-10/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyBERHXMDRAZJCRL-UHFFFAOYSA-N
XLogP1.90
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-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 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid (CID 90041042) is 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid is CCC(C)c1[nH]c(C)cc(=O)c1C(=O)O.
What is the InChIKey of 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is BERHXMDRAZJCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-6(2)10-9(11(14)15)8(13)5-7(3)12-10/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid?
2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 90041042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).