2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C11H11F3N2S — CID 57336351

IUPAC2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCSc1nc(C(C)C)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C11H11F3N2S/c1-6(2)9-4-8(11(12,13)14)7(5-15)10(16-9)17-3/h4,6H,1-3H3
InChIKeyYRFGAEFVKKKTHC-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.82
Rot. Bonds2

About 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 57336351) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID57336351
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCSc1nc(C(C)C)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C11H11F3N2S/c1-6(2)9-4-8(11(12,13)14)7(5-15)10(16-9)17-3/h4,6H,1-3H3
InChIKeyYRFGAEFVKKKTHC-UHFFFAOYSA-N
XLogP3.82
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4737312
6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 130077456
2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 141497615
6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
CID 43829356
2-[(1S)-1-cyanoethyl]sulfanyl-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 124504670
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106
2-iodo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171783031
3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-thiolate
CID 7063940
6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162574758
2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 170598975
6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171788240
2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile
CID 11053865

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 57336351) is 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is CSc1nc(C(C)C)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YRFGAEFVKKKTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-6(2)9-4-8(11(12,13)14)7(5-15)10(16-9)17-3/h4,6H,1-3H3.
What are the key properties of 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 260.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 57336351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).