1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one

C11H6F3NO2S — CID 2320794

IUPAC1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(c1cccs1)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-4-9(16)15(6-7)10(17)8-2-1-5-18-8/h1-6H
InChIKeyURYQSTCIAQULRL-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.62
Rot. Bonds1

About 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one

1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 2320794) has the molecular formula C11H6F3NO2S and a molecular weight of 273.24 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID2320794
Molecular FormulaC11H6F3NO2S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(c1cccs1)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-4-9(16)15(6-7)10(17)8-2-1-5-18-8/h1-6H
InChIKeyURYQSTCIAQULRL-UHFFFAOYSA-N
XLogP2.62
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one (CID 2320794) is 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one is O=C(c1cccs1)n1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is URYQSTCIAQULRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-4-9(16)15(6-7)10(17)8-2-1-5-18-8/h1-6H.
What are the key properties of 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one?
1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 273.24 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 2320794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).