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

C9H4F3NO2S — CID 82375963

IUPAC4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)ccnc2s1
InChIInChI=1S/C9H4F3NO2S/c10-9(11,12)5-1-2-13-7-4(5)3-6(16-7)8(14)15/h1-3H,(H,14,15)
InChIKeyJQYITLUDIHRDGD-UHFFFAOYSA-N
MW247.20 g/mol
LogP3.01
Rot. Bonds1

About 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 82375963) has the molecular formula C9H4F3NO2S and a molecular weight of 247.20 g/mol. Its IUPAC name is 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID82375963
Molecular FormulaC9H4F3NO2S
Molecular Weight247.20 g/mol
Exact Mass246.99
IUPAC Name4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)ccnc2s1
InChIInChI=1S/C9H4F3NO2S/c10-9(11,12)5-1-2-13-7-4(5)3-6(16-7)8(14)15/h1-3H,(H,14,15)
InChIKeyJQYITLUDIHRDGD-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 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 82375963) is 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)ccnc2s1.
What is the InChIKey of 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is JQYITLUDIHRDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2S/c10-9(11,12)5-1-2-13-7-4(5)3-6(16-7)8(14)15/h1-3H,(H,14,15).
What are the key properties of 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 82375963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).