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

C10H6F3NO2S — CID 25343315

IUPAC3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C10H6F3NO2S/c1-4-5-2-3-6(10(11,12)13)14-8(5)17-7(4)9(15)16/h2-3H,1H3,(H,15,16)
InChIKeyYQFPXXJYFPGXLY-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.32
Rot. Bonds1

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

3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 25343315) has the molecular formula C10H6F3NO2S and a molecular weight of 261.22 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID25343315
Molecular FormulaC10H6F3NO2S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC Name3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C10H6F3NO2S/c1-4-5-2-3-6(10(11,12)13)14-8(5)17-7(4)9(15)16/h2-3H,1H3,(H,15,16)
InChIKeyYQFPXXJYFPGXLY-UHFFFAOYSA-N
XLogP3.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 25343315) is 3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is Cc1c(C(=O)O)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is YQFPXXJYFPGXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S/c1-4-5-2-3-6(10(11,12)13)14-8(5)17-7(4)9(15)16/h2-3H,1H3,(H,15,16).
What are the key properties of 3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 261.22 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 25343315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).