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

C13H6F3NO2S2 — CID 1486483

IUPAC3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1
InChIInChI=1S/C13H6F3NO2S2/c14-13(15,16)6-4-8-10(17-5-6)9(7-2-1-3-20-7)11(21-8)12(18)19/h1-5H,(H,18,19)
InChIKeyDATGNBAKWXHSMN-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.74
Rot. Bonds2

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

3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 1486483) has the molecular formula C13H6F3NO2S2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID1486483
Molecular FormulaC13H6F3NO2S2
Molecular Weight329.32 g/mol
Exact Mass328.98
IUPAC Name3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1
InChIInChI=1S/C13H6F3NO2S2/c14-13(15,16)6-4-8-10(17-5-6)9(7-2-1-3-20-7)11(21-8)12(18)19/h1-5H,(H,18,19)
InChIKeyDATGNBAKWXHSMN-UHFFFAOYSA-N
XLogP4.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (CID 1486483) is 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is DATGNBAKWXHSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3NO2S2/c14-13(15,16)6-4-8-10(17-5-6)9(7-2-1-3-20-7)11(21-8)12(18)19/h1-5H,(H,18,19).
What are the key properties of 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 329.32 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 1486483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).