3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid

C10H10BrN3O5S — CID 168718856

IUPAC3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(Br)c(C(=O)O)n2)C1
InChIInChI=1S/C10H10BrN3O5S/c11-6-1-2-7(13-9(6)10(16)17)14-4-5(3-8(14)15)20(12,18)19/h1-2,5H,3-4H2,(H,16,17)(H2,12,18,19)
InChIKeyGEMGRJWBOTULQE-UHFFFAOYSA-N
MW364.18 g/mol
LogP-0.06
Rot. Bonds3

About 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid

3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 168718856) has the molecular formula C10H10BrN3O5S and a molecular weight of 364.18 g/mol. Its IUPAC name is 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID168718856
Molecular FormulaC10H10BrN3O5S
Molecular Weight364.18 g/mol
Exact Mass362.95
IUPAC Name3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(Br)c(C(=O)O)n2)C1
InChIInChI=1S/C10H10BrN3O5S/c11-6-1-2-7(13-9(6)10(16)17)14-4-5(3-8(14)15)20(12,18)19/h1-2,5H,3-4H2,(H,16,17)(H2,12,18,19)
InChIKeyGEMGRJWBOTULQE-UHFFFAOYSA-N
XLogP-0.06
TPSA130.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-bromopyridine-2-carboxylic acid
CID 168660752
6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168719374
6-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]-3-bromopyridine-2-carboxylic acid
CID 168668287
2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid
CID 168718651
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711783
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717881
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide
CID 168719368
1-(6-cyano-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719366
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168717675

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 168718856) is 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid is NS(=O)(=O)C1CC(=O)N(c2ccc(Br)c(C(=O)O)n2)C1.
What is the InChIKey of 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is GEMGRJWBOTULQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O5S/c11-6-1-2-7(13-9(6)10(16)17)14-4-5(3-8(14)15)20(12,18)19/h1-2,5H,3-4H2,(H,16,17)(H2,12,18,19).
What are the key properties of 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 364.18 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 168718856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).