2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine

C16H10F3NOS — CID 168526481

IUPAC2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Sc2ccc(-c3ccco3)cc2)nc1
InChIInChI=1S/C16H10F3NOS/c17-16(18,19)12-5-8-15(20-10-12)22-13-6-3-11(4-7-13)14-2-1-9-21-14/h1-10H
InChIKeyYVRPNJYPXDVUBI-UHFFFAOYSA-N
MW321.32 g/mol
LogP5.51
Rot. Bonds3

About 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine

2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine (PubChem CID 168526481) has the molecular formula C16H10F3NOS and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine
PubChem CID168526481
Molecular FormulaC16H10F3NOS
Molecular Weight321.32 g/mol
Exact Mass321.04
IUPAC Name2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Sc2ccc(-c3ccco3)cc2)nc1
InChIInChI=1S/C16H10F3NOS/c17-16(18,19)12-5-8-15(20-10-12)22-13-6-3-11(4-7-13)14-2-1-9-21-14/h1-10H
InChIKeyYVRPNJYPXDVUBI-UHFFFAOYSA-N
XLogP5.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.32
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 7285259
2-(4-Fluorophenyl)-3-(pyridin-4-yl)furan
CID 44572271
[5-[4-(Furan-2-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145955289
1-(2-Methoxyphenyl)-2-pyridin-2-ylsulfanylethanone
CID 2426475
3-fluoro-N'-{[5-(2-pyridinylsulfanyl)-2-furyl]methylene}benzohydrazide
CID 5400938
2,6-dimethyl-3-[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]phenyl]-1H-pyridin-4-one
CID 44528656
1-(4-((4-Fluorobenzyl)oxy)phenyl)-2-(2-pyridinylsulfanyl)ethanone
CID 573314
3-(1-Benzofuran-2-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
CID 2739573
N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 40488138
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone
CID 118911854
1-[4-(Difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2413731

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine (CID 168526481) is 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Sc2ccc(-c3ccco3)cc2)nc1.
What is the InChIKey of 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine?
The InChIKey is YVRPNJYPXDVUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NOS/c17-16(18,19)12-5-8-15(20-10-12)22-13-6-3-11(4-7-13)14-2-1-9-21-14/h1-10H.
What are the key properties of 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine?
2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine has a molecular weight of 321.32 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 168526481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).