2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine

C26H20F3NS — CID 141242033

IUPAC2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine
SMILESCc1ccc(SCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(-c2ccccn2)c1
InChIInChI=1S/C26H20F3NS/c1-18-5-14-25(23(16-18)24-4-2-3-15-30-24)31-17-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26(27,28)29/h2-16H,17H2,1H3
InChIKeyVEMOZDBIDYLABZ-UHFFFAOYSA-N
MW435.51 g/mol
LogP8.04
Rot. Bonds5

About 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine

2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine (PubChem CID 141242033) has the molecular formula C26H20F3NS and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine
PubChem CID141242033
Molecular FormulaC26H20F3NS
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine
SMILESCc1ccc(SCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(-c2ccccn2)c1
InChIInChI=1S/C26H20F3NS/c1-18-5-14-25(23(16-18)24-4-2-3-15-30-24)31-17-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26(27,28)29/h2-16H,17H2,1H3
InChIKeyVEMOZDBIDYLABZ-UHFFFAOYSA-N
XLogP8.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 49781449
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CID 49781450
1-Methyl-4-(3-pyridin-4-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
CID 49781451
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5-(4,5-Difluoro-4''-methanesulfonyl-biphenyl-2-yl)-2-methyl-pyridine
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2-[2-(4-Tert-butylphenyl)sulfanylethyl]pyridine
CID 738359
2-Methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine
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2-[3-(Naphthalen-2-ylsulfanyl)-cyclohex-1-enylethynyl]-pyridine
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1-(5-Cyclohexylpentyl)-3-[4-(trifluoromethyl)phenyl]sulfanylquinolin-1-ium iodide
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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine?
The IUPAC name of 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine (CID 141242033) is 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine.
What is the SMILES notation for 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine?
The canonical SMILES for 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine is Cc1ccc(SCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(-c2ccccn2)c1.
What is the InChIKey of 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine?
The InChIKey is VEMOZDBIDYLABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NS/c1-18-5-14-25(23(16-18)24-4-2-3-15-30-24)31-17-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26(27,28)29/h2-16H,17H2,1H3.
What are the key properties of 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine?
2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine has a molecular weight of 435.51 g/mol, XLogP of 8.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenyl]pyridine is sourced from PubChem (CID 141242033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).