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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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).