5-(trifluoromethylsulfanyl)pyridine-3-carboxamide

C7H5F3N2OS — CID 119054574

IUPAC5-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(SC(F)(F)F)c1
InChIInChI=1S/C7H5F3N2OS/c8-7(9,10)14-5-1-4(6(11)13)2-12-3-5/h1-3H,(H2,11,13)
InChIKeyIRITUVHXZRERGN-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.79
Rot. Bonds2

About 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide

5-(trifluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 119054574) has the molecular formula C7H5F3N2OS and a molecular weight of 222.19 g/mol. Its IUPAC name is 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID119054574
Molecular FormulaC7H5F3N2OS
Molecular Weight222.19 g/mol
Exact Mass222.01
IUPAC Name5-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(SC(F)(F)F)c1
InChIInChI=1S/C7H5F3N2OS/c8-7(9,10)14-5-1-4(6(11)13)2-12-3-5/h1-3H,(H2,11,13)
InChIKeyIRITUVHXZRERGN-UHFFFAOYSA-N
XLogP1.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide (CID 119054574) is 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide is NC(=O)c1cncc(SC(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is IRITUVHXZRERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2OS/c8-7(9,10)14-5-1-4(6(11)13)2-12-3-5/h1-3H,(H2,11,13).
What are the key properties of 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
5-(trifluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 222.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 119054574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).