2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine

C11H8F3NOS — CID 2780633

IUPAC2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(SCc2ccco2)nc1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)8-3-4-10(15-6-8)17-7-9-2-1-5-16-9/h1-6H,7H2
InChIKeySEZXRVIMNNKJQT-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.99
Rot. Bonds3

About 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine

2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine (PubChem CID 2780633) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine
PubChem CID2780633
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(SCc2ccco2)nc1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)8-3-4-10(15-6-8)17-7-9-2-1-5-16-9/h1-6H,7H2
InChIKeySEZXRVIMNNKJQT-UHFFFAOYSA-N
XLogP3.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine (CID 2780633) is 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(SCc2ccco2)nc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine?
The InChIKey is SEZXRVIMNNKJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c12-11(13,14)8-3-4-10(15-6-8)17-7-9-2-1-5-16-9/h1-6H,7H2.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine?
2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine has a molecular weight of 259.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2780633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).