5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid

C16H12FNO3S — CID 167901191

IUPAC5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCOc1ccc(-c2cnc3sc(C(=O)O)cc3c2)c(F)c1
InChIInChI=1S/C16H12FNO3S/c1-2-21-11-3-4-12(13(17)7-11)10-5-9-6-14(16(19)20)22-15(9)18-8-10/h3-8H,2H2,1H3,(H,19,20)
InChIKeyUFEZEDXQPYJOSB-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.20
Rot. Bonds4

About 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid

5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 167901191) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID167901191
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCOc1ccc(-c2cnc3sc(C(=O)O)cc3c2)c(F)c1
InChIInChI=1S/C16H12FNO3S/c1-2-21-11-3-4-12(13(17)7-11)10-5-9-6-14(16(19)20)22-15(9)18-8-10/h3-8H,2H2,1H3,(H,19,20)
InChIKeyUFEZEDXQPYJOSB-UHFFFAOYSA-N
XLogP4.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-ethoxy-2-fluorophenyl)thieno[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 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 167901191) is 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid is CCOc1ccc(-c2cnc3sc(C(=O)O)cc3c2)c(F)c1.
What is the InChIKey of 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is UFEZEDXQPYJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c1-2-21-11-3-4-12(13(17)7-11)10-5-9-6-14(16(19)20)22-15(9)18-8-10/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid?
5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 167901191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).