5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile

C18H10F3N3OS — CID 141340642

IUPAC5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Sc2ccccn2)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H10F3N3OS/c19-18(20,21)12-4-6-13(7-5-12)25-16-9-14(11-24-15(16)10-22)26-17-3-1-2-8-23-17/h1-9,11H
InChIKeyGGIYPNWVDPHEIZ-UHFFFAOYSA-N
MW373.36 g/mol
LogP5.31
Rot. Bonds4

About 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile

5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile (PubChem CID 141340642) has the molecular formula C18H10F3N3OS and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
PubChem CID141340642
Molecular FormulaC18H10F3N3OS
Molecular Weight373.36 g/mol
Exact Mass373.05
IUPAC Name5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Sc2ccccn2)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H10F3N3OS/c19-18(20,21)12-4-6-13(7-5-12)25-16-9-14(11-24-15(16)10-22)26-17-3-1-2-8-23-17/h1-9,11H
InChIKeyGGIYPNWVDPHEIZ-UHFFFAOYSA-N
XLogP5.31
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.36
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile (CID 141340642) is 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile is N#Cc1ncc(Sc2ccccn2)cc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The InChIKey is GGIYPNWVDPHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3OS/c19-18(20,21)12-4-6-13(7-5-12)25-16-9-14(11-24-15(16)10-22)26-17-3-1-2-8-23-17/h1-9,11H.
What are the key properties of 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile has a molecular weight of 373.36 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 141340642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).