2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine

C13H8F5NS — CID 133371906

IUPAC2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
SMILESCC(Sc1c(F)c(F)nc(F)c1F)c1ccccc1F
InChIInChI=1S/C13H8F5NS/c1-6(7-4-2-3-5-8(7)14)20-11-9(15)12(17)19-13(18)10(11)16/h2-6H,1H3
InChIKeyORGIMNQLTJMXQI-UHFFFAOYSA-N
MW305.27 g/mol
LogP4.63
Rot. Bonds3

About 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine

2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine (PubChem CID 133371906) has the molecular formula C13H8F5NS and a molecular weight of 305.27 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
PubChem CID133371906
Molecular FormulaC13H8F5NS
Molecular Weight305.27 g/mol
Exact Mass305.03
IUPAC Name2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
SMILESCC(Sc1c(F)c(F)nc(F)c1F)c1ccccc1F
InChIInChI=1S/C13H8F5NS/c1-6(7-4-2-3-5-8(7)14)20-11-9(15)12(17)19-13(18)10(11)16/h2-6H,1H3
InChIKeyORGIMNQLTJMXQI-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 112832335
3-bromo-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylpyridine
CID 100617547
5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole
CID 141313942
2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine
CID 133343083
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine
CID 97320003
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole
CID 95275026
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine (CID 133371906) is 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine is CC(Sc1c(F)c(F)nc(F)c1F)c1ccccc1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine?
The InChIKey is ORGIMNQLTJMXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NS/c1-6(7-4-2-3-5-8(7)14)20-11-9(15)12(17)19-13(18)10(11)16/h2-6H,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine?
2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine has a molecular weight of 305.27 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine is sourced from PubChem (CID 133371906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).