5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid

C11H13NO4 — CID 30033263

IUPAC5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCn1c(C)c(C(C)=O)cc(C(=O)O)c1=O
InChIInChI=1S/C11H13NO4/c1-4-12-6(2)8(7(3)13)5-9(10(12)14)11(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyYYRWUXDRTKQSJQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.08
Rot. Bonds3

About 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid

5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 30033263) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID30033263
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCn1c(C)c(C(C)=O)cc(C(=O)O)c1=O
InChIInChI=1S/C11H13NO4/c1-4-12-6(2)8(7(3)13)5-9(10(12)14)11(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyYYRWUXDRTKQSJQ-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid (CID 30033263) is 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid is CCn1c(C)c(C(C)=O)cc(C(=O)O)c1=O.
What is the InChIKey of 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is YYRWUXDRTKQSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-4-12-6(2)8(7(3)13)5-9(10(12)14)11(15)16/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid?
5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 30033263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).