4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine

C18H13F3N2S — CID 15754360

IUPAC4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine
SMILESCSc1cc(-c2ccncc2)nc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H13F3N2S/c1-24-15-10-16(12-5-7-22-8-6-12)23-17(11-15)13-3-2-4-14(9-13)18(19,20)21/h2-11H,1H3
InChIKeyAWPBUQUMMVRFJG-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.55
Rot. Bonds3

About 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine

4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 15754360) has the molecular formula C18H13F3N2S and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID15754360
Molecular FormulaC18H13F3N2S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine
SMILESCSc1cc(-c2ccncc2)nc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H13F3N2S/c1-24-15-10-16(12-5-7-22-8-6-12)23-17(11-15)13-3-2-4-14(9-13)18(19,20)21/h2-11H,1H3
InChIKeyAWPBUQUMMVRFJG-UHFFFAOYSA-N
XLogP5.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine (CID 15754360) is 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine is CSc1cc(-c2ccncc2)nc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is AWPBUQUMMVRFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2S/c1-24-15-10-16(12-5-7-22-8-6-12)23-17(11-15)13-3-2-4-14(9-13)18(19,20)21/h2-11H,1H3.
What are the key properties of 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine?
4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 346.38 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 15754360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).