2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C10H11N3O4S — CID 104520363

IUPAC2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCC(c1nc2ncc(C(=O)O)cc2[nH]1)S(C)(=O)=O
InChIInChI=1S/C10H11N3O4S/c1-5(18(2,16)17)8-12-7-3-6(10(14)15)4-11-9(7)13-8/h3-5H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyKJRNONNOVDJIDW-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.76
Rot. Bonds3

About 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 104520363) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID104520363
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCC(c1nc2ncc(C(=O)O)cc2[nH]1)S(C)(=O)=O
InChIInChI=1S/C10H11N3O4S/c1-5(18(2,16)17)8-12-7-3-6(10(14)15)4-11-9(7)13-8/h3-5H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyKJRNONNOVDJIDW-UHFFFAOYSA-N
XLogP0.76
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 104520363) is 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is CC(c1nc2ncc(C(=O)O)cc2[nH]1)S(C)(=O)=O.
What is the InChIKey of 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is KJRNONNOVDJIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-5(18(2,16)17)8-12-7-3-6(10(14)15)4-11-9(7)13-8/h3-5H,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 104520363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).