2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C10H9F3N2O2S2 — CID 79877270

IUPAC2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCS(=O)(=O)CCSc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C10H9F3N2O2S2/c1-19(16,17)5-4-18-9-7(6-14)2-3-8(15-9)10(11,12)13/h2-3H,4-5H2,1H3
InChIKeyWMHIYKVFBVXSJW-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79877270) has the molecular formula C10H9F3N2O2S2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79877270
Molecular FormulaC10H9F3N2O2S2
Molecular Weight310.32 g/mol
Exact Mass310.01
IUPAC Name2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCS(=O)(=O)CCSc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C10H9F3N2O2S2/c1-19(16,17)5-4-18-9-7(6-14)2-3-8(15-9)10(11,12)13/h2-3H,4-5H2,1H3
InChIKeyWMHIYKVFBVXSJW-UHFFFAOYSA-N
XLogP2.11
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79877270) is 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is CS(=O)(=O)CCSc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WMHIYKVFBVXSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S2/c1-19(16,17)5-4-18-9-7(6-14)2-3-8(15-9)10(11,12)13/h2-3H,4-5H2,1H3.
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 310.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79877270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).