2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid

C11H10N2O4S — CID 142623476

IUPAC2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid
SMILESO=C1CCC(Sc2cc(C(=O)O)ccn2)C(=O)N1
InChIInChI=1S/C11H10N2O4S/c14-8-2-1-7(10(15)13-8)18-9-5-6(11(16)17)3-4-12-9/h3-5,7H,1-2H2,(H,16,17)(H,13,14,15)
InChIKeyWBHUIPFRXLCPJP-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.68
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid

2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid (PubChem CID 142623476) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid
PubChem CID142623476
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid
SMILESO=C1CCC(Sc2cc(C(=O)O)ccn2)C(=O)N1
InChIInChI=1S/C11H10N2O4S/c14-8-2-1-7(10(15)13-8)18-9-5-6(11(16)17)3-4-12-9/h3-5,7H,1-2H2,(H,16,17)(H,13,14,15)
InChIKeyWBHUIPFRXLCPJP-UHFFFAOYSA-N
XLogP0.68
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.68
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 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid (CID 142623476) is 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid is O=C1CCC(Sc2cc(C(=O)O)ccn2)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is WBHUIPFRXLCPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c14-8-2-1-7(10(15)13-8)18-9-5-6(11(16)17)3-4-12-9/h3-5,7H,1-2H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid?
2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 142623476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).