3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

C15H8F3NO2S — CID 3751878

IUPAC3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1
InChIInChI=1S/C15H8F3NO2S/c16-15(17,18)9-6-10-12(19-7-9)11(13(22-10)14(20)21)8-4-2-1-3-5-8/h1-7H,(H,20,21)
InChIKeyYTMOGPGAAGFVCE-UHFFFAOYSA-N
MW323.30 g/mol
LogP4.68
Rot. Bonds2

About 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 3751878) has the molecular formula C15H8F3NO2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID3751878
Molecular FormulaC15H8F3NO2S
Molecular Weight323.30 g/mol
Exact Mass323.02
IUPAC Name3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1
InChIInChI=1S/C15H8F3NO2S/c16-15(17,18)9-6-10-12(19-7-9)11(13(22-10)14(20)21)8-4-2-1-3-5-8/h1-7H,(H,20,21)
InChIKeyYTMOGPGAAGFVCE-UHFFFAOYSA-N
XLogP4.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-6-(trifluoromethyl)thieno[3,2-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-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (CID 3751878) is 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1.
What is the InChIKey of 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is YTMOGPGAAGFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2S/c16-15(17,18)9-6-10-12(19-7-9)11(13(22-10)14(20)21)8-4-2-1-3-5-8/h1-7H,(H,20,21).
What are the key properties of 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 323.30 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 3751878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).