3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

C11H8F3NO2S — CID 4961909

IUPAC3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)c2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C11H8F3NO2S/c1-4-3-6(11(12,13)14)7-5(2)8(10(16)17)18-9(7)15-4/h3H,1-2H3,(H,16,17)
InChIKeyLNZIYUHBIAJPDP-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.63
Rot. Bonds1

About 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 4961909) has the molecular formula C11H8F3NO2S and a molecular weight of 275.25 g/mol. Its IUPAC name is 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID4961909
Molecular FormulaC11H8F3NO2S
Molecular Weight275.25 g/mol
Exact Mass275.02
IUPAC Name3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)c2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C11H8F3NO2S/c1-4-3-6(11(12,13)14)7-5(2)8(10(16)17)18-9(7)15-4/h3H,1-2H3,(H,16,17)
InChIKeyLNZIYUHBIAJPDP-UHFFFAOYSA-N
XLogP3.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 4961909) is 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is Cc1cc(C(F)(F)F)c2c(C)c(C(=O)O)sc2n1.
What is the InChIKey of 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is LNZIYUHBIAJPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S/c1-4-3-6(11(12,13)14)7-5(2)8(10(16)17)18-9(7)15-4/h3H,1-2H3,(H,16,17).
What are the key properties of 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 275.25 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 4961909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).