6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid

C11H10N2O4S — CID 61304765

IUPAC6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
SMILESCN1C(=O)CC(Sc2ccc(C(=O)O)cn2)C1=O
InChIInChI=1S/C11H10N2O4S/c1-13-9(14)4-7(10(13)15)18-8-3-2-6(5-12-8)11(16)17/h2-3,5,7H,4H2,1H3,(H,16,17)
InChIKeyDLBFQCDTAXIKDT-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.63
Rot. Bonds3

About 6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid

6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid (PubChem CID 61304765) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
PubChem CID61304765
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
SMILESCN1C(=O)CC(Sc2ccc(C(=O)O)cn2)C1=O
InChIInChI=1S/C11H10N2O4S/c1-13-9(14)4-7(10(13)15)18-8-3-2-6(5-12-8)11(16)17/h2-3,5,7H,4H2,1H3,(H,16,17)
InChIKeyDLBFQCDTAXIKDT-UHFFFAOYSA-N
XLogP0.63
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
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-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid (CID 61304765) is 6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid is CN1C(=O)CC(Sc2ccc(C(=O)O)cn2)C1=O.
What is the InChIKey of 6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is DLBFQCDTAXIKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-13-9(14)4-7(10(13)15)18-8-3-2-6(5-12-8)11(16)17/h2-3,5,7H,4H2,1H3,(H,16,17).
What are the key properties of 6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid?
6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 61304765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).