3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid

C17H14FNO2S — CID 139651713

IUPAC3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc2c(-c3ccc(F)cc3)c(C(=O)O)sc2n1
InChIInChI=1S/C17H14FNO2S/c1-9(2)13-8-7-12-14(10-3-5-11(18)6-4-10)15(17(20)21)22-16(12)19-13/h3-9H,1-2H3,(H,20,21)
InChIKeyBFZAQLQMUQYLHS-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.92
Rot. Bonds3

About 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid

3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139651713) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139651713
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc2c(-c3ccc(F)cc3)c(C(=O)O)sc2n1
InChIInChI=1S/C17H14FNO2S/c1-9(2)13-8-7-12-14(10-3-5-11(18)6-4-10)15(17(20)21)22-16(12)19-13/h3-9H,1-2H3,(H,20,21)
InChIKeyBFZAQLQMUQYLHS-UHFFFAOYSA-N
XLogP4.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-6-propan-2-ylthieno[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 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (CID 139651713) is 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is CC(C)c1ccc2c(-c3ccc(F)cc3)c(C(=O)O)sc2n1.
What is the InChIKey of 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is BFZAQLQMUQYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-9(2)13-8-7-12-14(10-3-5-11(18)6-4-10)15(17(20)21)22-16(12)19-13/h3-9H,1-2H3,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139651713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).