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

C14H7F3N2O2S — CID 1486480

IUPAC3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)7-5-9-11(19-6-7)10(12(22-9)13(20)21)8-3-1-2-4-18-8/h1-6H,(H,20,21)
InChIKeyKJEHNVDRRPVEOU-UHFFFAOYSA-N
MW324.28 g/mol
LogP4.08
Rot. Bonds2

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

3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 1486480) has the molecular formula C14H7F3N2O2S and a molecular weight of 324.28 g/mol. Its IUPAC name is 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID1486480
Molecular FormulaC14H7F3N2O2S
Molecular Weight324.28 g/mol
Exact Mass324.02
IUPAC Name3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)7-5-9-11(19-6-7)10(12(22-9)13(20)21)8-3-1-2-4-18-8/h1-6H,(H,20,21)
InChIKeyKJEHNVDRRPVEOU-UHFFFAOYSA-N
XLogP4.08
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (CID 1486480) is 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is KJEHNVDRRPVEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2S/c15-14(16,17)7-5-9-11(19-6-7)10(12(22-9)13(20)21)8-3-1-2-4-18-8/h1-6H,(H,20,21).
What are the key properties of 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 324.28 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 1486480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).