6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid

C10H12N2O6S — CID 61456601

IUPAC6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H12N2O6S/c1-2-18-9(13)6-19(16,17)12-8-4-3-7(5-11-8)10(14)15/h3-5H,2,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyVTPFPZJJRIERIT-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.08
Rot. Bonds6

About 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid

6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 61456601) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID61456601
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H12N2O6S/c1-2-18-9(13)6-19(16,17)12-8-4-3-7(5-11-8)10(14)15/h3-5H,2,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyVTPFPZJJRIERIT-UHFFFAOYSA-N
XLogP0.08
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid (CID 61456601) is 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid is CCOC(=O)CS(=O)(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is VTPFPZJJRIERIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c1-2-18-9(13)6-19(16,17)12-8-4-3-7(5-11-8)10(14)15/h3-5H,2,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid?
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 288.28 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61456601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).