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

C11H10N2O4 — CID 134494847

IUPAC6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid
SMILESCC1(c2ccc(C(=O)O)cn2)CC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(4-8(14)13-10(11)17)7-3-2-6(5-12-7)9(15)16/h2-3,5H,4H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyXMKHLVVAJAYWKQ-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.08
Rot. Bonds2

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

6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid (PubChem CID 134494847) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid
PubChem CID134494847
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid
SMILESCC1(c2ccc(C(=O)O)cn2)CC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(4-8(14)13-10(11)17)7-3-2-6(5-12-7)9(15)16/h2-3,5H,4H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyXMKHLVVAJAYWKQ-UHFFFAOYSA-N
XLogP0.08
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
CID 63606423
6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid
CID 142605962
6-aminopyridine-3-carboxylic acid;ethane
CID 142242146
6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid
CID 171935334
pyridine-2,5-dicarboxylic acid
CID 158970171
6-acetylpyridine-3-carboxylic acid
CID 22323784
6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid
CID 64836665
6-(2-prop-1-enylhydrazinyl)pyridine-3-carboxylic acid
CID 70287368
4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66067103
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-8-carboxylic acid
CID 82231700
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid (CID 134494847) is 6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid is CC1(c2ccc(C(=O)O)cn2)CC(=O)NC1=O.
What is the InChIKey of 6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid?
The InChIKey is XMKHLVVAJAYWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-11(4-8(14)13-10(11)17)7-3-2-6(5-12-7)9(15)16/h2-3,5H,4H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid?
6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 134494847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).