4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid

C10H9NO2S — CID 4961883

IUPAC4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C)c2cc(C(=O)O)sc2n1
InChIInChI=1S/C10H9NO2S/c1-5-3-6(2)11-9-7(5)4-8(14-9)10(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeyOKPHGWXJQSOYAX-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.61
Rot. Bonds1

About 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid

4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 4961883) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID4961883
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C)c2cc(C(=O)O)sc2n1
InChIInChI=1S/C10H9NO2S/c1-5-3-6(2)11-9-7(5)4-8(14-9)10(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeyOKPHGWXJQSOYAX-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethylthieno[2,3-b]pyridine-2-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 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid (CID 4961883) is 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1cc(C)c2cc(C(=O)O)sc2n1.
What is the InChIKey of 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is OKPHGWXJQSOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-5-3-6(2)11-9-7(5)4-8(14-9)10(12)13/h3-4H,1-2H3,(H,12,13).
What are the key properties of 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 4961883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).