5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine

C12H6F6N2S — CID 2326271

IUPAC5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
SMILESFC(F)(F)c1ccc(Sc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C12H6F6N2S/c13-11(14,15)7-1-3-9(19-5-7)21-10-4-2-8(6-20-10)12(16,17)18/h1-6H
InChIKeyNYNUORIUDKGDPD-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.67
Rot. Bonds2

About 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine

5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine (PubChem CID 2326271) has the molecular formula C12H6F6N2S and a molecular weight of 324.25 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
PubChem CID2326271
Molecular FormulaC12H6F6N2S
Molecular Weight324.25 g/mol
Exact Mass324.02
IUPAC Name5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
SMILESFC(F)(F)c1ccc(Sc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C12H6F6N2S/c13-11(14,15)7-1-3-9(19-5-7)21-10-4-2-8(6-20-10)12(16,17)18/h1-6H
InChIKeyNYNUORIUDKGDPD-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
The IUPAC name of 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine (CID 2326271) is 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine.
What is the SMILES notation for 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
The canonical SMILES for 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine is FC(F)(F)c1ccc(Sc2ccc(C(F)(F)F)cn2)nc1.
What is the InChIKey of 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
The InChIKey is NYNUORIUDKGDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2S/c13-11(14,15)7-1-3-9(19-5-7)21-10-4-2-8(6-20-10)12(16,17)18/h1-6H.
What are the key properties of 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine has a molecular weight of 324.25 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine is sourced from PubChem (CID 2326271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).