3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine

C10H6F3NOS — CID 167432536

IUPAC3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncccc1Sc1ccco1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)9-7(3-1-5-14-9)16-8-4-2-6-15-8/h1-6H
InChIKeyMZJYNTPNOCOMOO-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.84
Rot. Bonds2

About 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine

3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine (PubChem CID 167432536) has the molecular formula C10H6F3NOS and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine
PubChem CID167432536
Molecular FormulaC10H6F3NOS
Molecular Weight245.23 g/mol
Exact Mass245.01
IUPAC Name3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncccc1Sc1ccco1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)9-7(3-1-5-14-9)16-8-4-2-6-15-8/h1-6H
InChIKeyMZJYNTPNOCOMOO-UHFFFAOYSA-N
XLogP3.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine (CID 167432536) is 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ncccc1Sc1ccco1.
What is the InChIKey of 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine?
The InChIKey is MZJYNTPNOCOMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS/c11-10(12,13)9-7(3-1-5-14-9)16-8-4-2-6-15-8/h1-6H.
What are the key properties of 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine?
3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine has a molecular weight of 245.23 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylsulfanyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 167432536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).