3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid

C12H12N2O4 — CID 103499765

IUPAC3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1C(=O)N(c2cccnc2C(=O)O)C(=O)C1C
InChIInChI=1S/C12H12N2O4/c1-6-7(2)11(16)14(10(6)15)8-4-3-5-13-9(8)12(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyJKWMZOSRFURXAB-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.93
Rot. Bonds2

About 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid

3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 103499765) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID103499765
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1C(=O)N(c2cccnc2C(=O)O)C(=O)C1C
InChIInChI=1S/C12H12N2O4/c1-6-7(2)11(16)14(10(6)15)8-4-3-5-13-9(8)12(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyJKWMZOSRFURXAB-UHFFFAOYSA-N
XLogP0.93
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
CID 90154501
3-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 114541181
3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 66742288
tetrakis(2-carboxypyridin-3-olate);iridium
CID 173055687
3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid
CID 175867076
3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid
CID 118510835
pyridine-2,3-dicarboxylic acid
CID 1066
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 103499765) is 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid is CC1C(=O)N(c2cccnc2C(=O)O)C(=O)C1C.
What is the InChIKey of 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is JKWMZOSRFURXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-6-7(2)11(16)14(10(6)15)8-4-3-5-13-9(8)12(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid?
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 103499765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).