3,5-bis(trifluoromethylsulfanyl)pyridine

C7H3F6NS2 — CID 13183076

IUPAC3,5-bis(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1cncc(SC(F)(F)F)c1
InChIInChI=1S/C7H3F6NS2/c8-6(9,10)15-4-1-5(3-14-2-4)16-7(11,12)13/h1-3H
InChIKeyHUSWZPGXNVVIIP-UHFFFAOYSA-N
MW279.23 g/mol
LogP4.31
Rot. Bonds2

About 3,5-bis(trifluoromethylsulfanyl)pyridine

3,5-bis(trifluoromethylsulfanyl)pyridine (PubChem CID 13183076) has the molecular formula C7H3F6NS2 and a molecular weight of 279.23 g/mol. Its IUPAC name is 3,5-bis(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name3,5-bis(trifluoromethylsulfanyl)pyridine
PubChem CID13183076
Molecular FormulaC7H3F6NS2
Molecular Weight279.23 g/mol
Exact Mass278.96
IUPAC Name3,5-bis(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1cncc(SC(F)(F)F)c1
InChIInChI=1S/C7H3F6NS2/c8-6(9,10)15-4-1-5(3-14-2-4)16-7(11,12)13/h1-3H
InChIKeyHUSWZPGXNVVIIP-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 3,5-bis(trifluoromethylsulfanyl)pyridine (CID 13183076) is 3,5-bis(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 3,5-bis(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 3,5-bis(trifluoromethylsulfanyl)pyridine is FC(F)(F)Sc1cncc(SC(F)(F)F)c1.
What is the InChIKey of 3,5-bis(trifluoromethylsulfanyl)pyridine?
The InChIKey is HUSWZPGXNVVIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NS2/c8-6(9,10)15-4-1-5(3-14-2-4)16-7(11,12)13/h1-3H.
What are the key properties of 3,5-bis(trifluoromethylsulfanyl)pyridine?
3,5-bis(trifluoromethylsulfanyl)pyridine has a molecular weight of 279.23 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 13183076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).