2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C24H15F3N2S — CID 19257192

IUPAC2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1cccc2ccccc12
InChIInChI=1S/C24H15F3N2S/c25-24(26,27)21-13-22(17-8-2-1-3-9-17)29-23(20(21)14-28)30-15-18-11-6-10-16-7-4-5-12-19(16)18/h1-13H,15H2
InChIKeyYIADFGBRDACZRI-UHFFFAOYSA-N
MW420.46 g/mol
LogP7.08
Rot. Bonds4

About 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 19257192) has the molecular formula C24H15F3N2S and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID19257192
Molecular FormulaC24H15F3N2S
Molecular Weight420.46 g/mol
Exact Mass420.09
IUPAC Name2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1cccc2ccccc12
InChIInChI=1S/C24H15F3N2S/c25-24(26,27)21-13-22(17-8-2-1-3-9-17)29-23(20(21)14-28)30-15-18-11-6-10-16-7-4-5-12-19(16)18/h1-13H,15H2
InChIKeyYIADFGBRDACZRI-UHFFFAOYSA-N
XLogP7.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyanomethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 3135060
2-[(3-bromophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4623496
6-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4287537
2-benzylsulfanyl-6-(4-butoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 3446927
6-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4096555
6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4582441
2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 125117471
3-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclohexylpropanamide
CID 2975462
2-[(2,4-dichlorophenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4301963
[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide
CID 10913190
6-(4-chlorophenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 5071343
3-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 16957377

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 19257192) is 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YIADFGBRDACZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2S/c25-24(26,27)21-13-22(17-8-2-1-3-9-17)29-23(20(21)14-28)30-15-18-11-6-10-16-7-4-5-12-19(16)18/h1-13H,15H2.
What are the key properties of 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 420.46 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19257192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).