6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid

C11H11N3O4 — CID 66075438

IUPAC6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1c1cccc(C(=O)O)n1
InChIInChI=1S/C11H11N3O4/c1-6-10(16)13-9(15)5-14(6)8-4-2-3-7(12-8)11(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,13,15,16)
InChIKeyMFZDKZJAUWQRJY-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.37
Rot. Bonds2

About 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid

6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid (PubChem CID 66075438) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid
PubChem CID66075438
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1c1cccc(C(=O)O)n1
InChIInChI=1S/C11H11N3O4/c1-6-10(16)13-9(15)5-14(6)8-4-2-3-7(12-8)11(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,13,15,16)
InChIKeyMFZDKZJAUWQRJY-UHFFFAOYSA-N
XLogP-0.37
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid (CID 66075438) is 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid is CC1C(=O)NC(=O)CN1c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is MFZDKZJAUWQRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-10(16)13-9(15)5-14(6)8-4-2-3-7(12-8)11(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,13,15,16).
What are the key properties of 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid?
6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 66075438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).