5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid

C10H11NO4 — CID 30033260

IUPAC5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)c(=O)n(C)c1C
InChIInChI=1S/C10H11NO4/c1-5-7(6(2)12)4-8(10(14)15)9(13)11(5)3/h4H,1-3H3,(H,14,15)
InChIKeyWMQLLUOSRNUGLF-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.59
Rot. Bonds2

About 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid

5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 30033260) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID30033260
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)c(=O)n(C)c1C
InChIInChI=1S/C10H11NO4/c1-5-7(6(2)12)4-8(10(14)15)9(13)11(5)3/h4H,1-3H3,(H,14,15)
InChIKeyWMQLLUOSRNUGLF-UHFFFAOYSA-N
XLogP0.59
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 30033260) is 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid is CC(=O)c1cc(C(=O)O)c(=O)n(C)c1C.
What is the InChIKey of 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is WMQLLUOSRNUGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-5-7(6(2)12)4-8(10(14)15)9(13)11(5)3/h4H,1-3H3,(H,14,15).
What are the key properties of 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 30033260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).