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

C13H6F3NO3S — CID 1490062

IUPAC3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccco1
InChIInChI=1S/C13H6F3NO3S/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)
InChIKeyKZEPTKFBJWYCJD-UHFFFAOYSA-N
MW313.26 g/mol
LogP4.27
Rot. Bonds2

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

3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 1490062) has the molecular formula C13H6F3NO3S and a molecular weight of 313.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID1490062
Molecular FormulaC13H6F3NO3S
Molecular Weight313.26 g/mol
Exact Mass313.00
IUPAC Name3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccco1
InChIInChI=1S/C13H6F3NO3S/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)
InChIKeyKZEPTKFBJWYCJD-UHFFFAOYSA-N
XLogP4.27
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (CID 1490062) is 3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is KZEPTKFBJWYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3NO3S/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-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 313.26 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 1490062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).