6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid

C11H13NO4 — CID 82099930

IUPAC6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid
SMILESCC(=O)C(C)n1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C11H13NO4/c1-6-4-5-9(11(15)16)10(14)12(6)7(2)8(3)13/h4-5,7H,1-3H3,(H,15,16)
InChIKeyYODCYCTYALQYCD-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.00
Rot. Bonds3

About 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid

6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid (PubChem CID 82099930) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid
PubChem CID82099930
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid
SMILESCC(=O)C(C)n1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C11H13NO4/c1-6-4-5-9(11(15)16)10(14)12(6)7(2)8(3)13/h4-5,7H,1-3H3,(H,15,16)
InChIKeyYODCYCTYALQYCD-UHFFFAOYSA-N
XLogP1.00
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid (CID 82099930) is 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid is CC(=O)C(C)n1c(C)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is YODCYCTYALQYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6-4-5-9(11(15)16)10(14)12(6)7(2)8(3)13/h4-5,7H,1-3H3,(H,15,16).
What are the key properties of 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid?
6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82099930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).