3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C14H11F3N2O2S — CID 30455846

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCc2sccc2C1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)11-2-1-9(12(20)18-11)13(21)19-5-3-10-8(7-19)4-6-22-10/h1-2,4,6H,3,5,7H2,(H,18,20)
InChIKeyAPUAEJFNEVXUSE-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.65
Rot. Bonds1

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 30455846) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID30455846
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCc2sccc2C1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)11-2-1-9(12(20)18-11)13(21)19-5-3-10-8(7-19)4-6-22-10/h1-2,4,6H,3,5,7H2,(H,18,20)
InChIKeyAPUAEJFNEVXUSE-UHFFFAOYSA-N
XLogP2.65
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 30455846) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCc2sccc2C1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is APUAEJFNEVXUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c15-14(16,17)11-2-1-9(12(20)18-11)13(21)19-5-3-10-8(7-19)4-6-22-10/h1-2,4,6H,3,5,7H2,(H,18,20).
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 328.32 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 30455846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).