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

C12H6F6N2S2 — CID 2781718

IUPAC5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine
SMILESFC(F)(F)c1ccc(SSc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C12H6F6N2S2/c13-11(14,15)7-1-3-9(19-5-7)21-22-10-4-2-8(6-20-10)12(16,17)18/h1-6H
InChIKeyFKUBQFNUFKOTJJ-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.31
Rot. Bonds3

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

5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine (PubChem CID 2781718) has the molecular formula C12H6F6N2S2 and a molecular weight of 356.32 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine
PubChem CID2781718
Molecular FormulaC12H6F6N2S2
Molecular Weight356.32 g/mol
Exact Mass355.99
IUPAC Name5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine
SMILESFC(F)(F)c1ccc(SSc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C12H6F6N2S2/c13-11(14,15)7-1-3-9(19-5-7)21-22-10-4-2-8(6-20-10)12(16,17)18/h1-6H
InChIKeyFKUBQFNUFKOTJJ-UHFFFAOYSA-N
XLogP5.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine?
The IUPAC name of 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine (CID 2781718) is 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine.
What is the SMILES notation for 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine?
The canonical SMILES for 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine is FC(F)(F)c1ccc(SSc2ccc(C(F)(F)F)cn2)nc1.
What is the InChIKey of 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine?
The InChIKey is FKUBQFNUFKOTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2S2/c13-11(14,15)7-1-3-9(19-5-7)21-22-10-4-2-8(6-20-10)12(16,17)18/h1-6H.
What are the key properties of 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine?
5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine has a molecular weight of 356.32 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]disulfanyl]pyridine is sourced from PubChem (CID 2781718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).