N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C11H11F3N2O3S — CID 47019912

IUPACN-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)9-2-1-7(5-15-9)10(17)16-8-3-4-20(18,19)6-8/h1-2,5,8H,3-4,6H2,(H,16,17)
InChIKeyFCZRGQBVSRKWJY-UHFFFAOYSA-N
MW308.28 g/mol
LogP1.02
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 47019912) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID47019912
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)9-2-1-7(5-15-9)10(17)16-8-3-4-20(18,19)6-8/h1-2,5,8H,3-4,6H2,(H,16,17)
InChIKeyFCZRGQBVSRKWJY-UHFFFAOYSA-N
XLogP1.02
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 47019912) is N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FCZRGQBVSRKWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c12-11(13,14)9-2-1-7(5-15-9)10(17)16-8-3-4-20(18,19)6-8/h1-2,5,8H,3-4,6H2,(H,16,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 308.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 47019912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).