2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile

C11H11F3N2S — CID 78966225

IUPAC2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)(C)Sc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H11F3N2S/c1-10(2,3)17-9-7(6-15)4-5-8(16-9)11(12,13)14/h4-5H,1-3H3
InChIKeyOTJLBSWQIVQFHU-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.86
Rot. Bonds1

About 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile

2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966225) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966225
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)(C)Sc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H11F3N2S/c1-10(2,3)17-9-7(6-15)4-5-8(16-9)11(12,13)14/h4-5H,1-3H3
InChIKeyOTJLBSWQIVQFHU-UHFFFAOYSA-N
XLogP3.86
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877270
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride
CID 79877291
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877203
2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877221
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877541
2-[(3-bromo-2-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877678
methyl 3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoate
CID 79877524
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 46314749
N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 78965975
2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873372

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966225) is 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile is CC(C)(C)Sc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OTJLBSWQIVQFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-10(2,3)17-9-7(6-15)4-5-8(16-9)11(12,13)14/h4-5H,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 260.28 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).