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

C9H4F3NO2S — CID 2777835

IUPAC5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C9H4F3NO2S/c10-9(11,12)7-4(8(14)15)3-6-5(13-7)1-2-16-6/h1-3H,(H,14,15)
InChIKeyKKNFNNOZJDSWKR-UHFFFAOYSA-N
MW247.20 g/mol
LogP3.01
Rot. Bonds1

About 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid

5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 2777835) has the molecular formula C9H4F3NO2S and a molecular weight of 247.20 g/mol. Its IUPAC name is 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID2777835
Molecular FormulaC9H4F3NO2S
Molecular Weight247.20 g/mol
Exact Mass246.99
IUPAC Name5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C9H4F3NO2S/c10-9(11,12)7-4(8(14)15)3-6-5(13-7)1-2-16-6/h1-3H,(H,14,15)
InChIKeyKKNFNNOZJDSWKR-UHFFFAOYSA-N
XLogP3.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid (CID 2777835) is 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1cc2sccc2nc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is KKNFNNOZJDSWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2S/c10-9(11,12)7-4(8(14)15)3-6-5(13-7)1-2-16-6/h1-3H,(H,14,15).
What are the key properties of 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid?
5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 247.20 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 2777835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).