4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine

C13H9F4NS — CID 658876

IUPAC4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine
SMILESFc1cc(F)c(F)c(SCCc2ccncc2)c1F
InChIInChI=1S/C13H9F4NS/c14-9-7-10(15)12(17)13(11(9)16)19-6-3-8-1-4-18-5-2-8/h1-2,4-5,7H,3,6H2
InChIKeyCLVYSEXRXAITAV-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.97
Rot. Bonds4

About 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine

4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine (PubChem CID 658876) has the molecular formula C13H9F4NS and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine
PubChem CID658876
Molecular FormulaC13H9F4NS
Molecular Weight287.28 g/mol
Exact Mass287.04
IUPAC Name4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine
SMILESFc1cc(F)c(F)c(SCCc2ccncc2)c1F
InChIInChI=1S/C13H9F4NS/c14-9-7-10(15)12(17)13(11(9)16)19-6-3-8-1-4-18-5-2-8/h1-2,4-5,7H,3,6H2
InChIKeyCLVYSEXRXAITAV-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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4-[2-(4-Bromophenylsulfanyl)ethyl]pyridine
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3-(4-Methylthiophen-3-yl)pyridine
CID 11378800
(E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine?
The IUPAC name of 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine (CID 658876) is 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine?
The canonical SMILES for 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine is Fc1cc(F)c(F)c(SCCc2ccncc2)c1F.
What is the InChIKey of 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine?
The InChIKey is CLVYSEXRXAITAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NS/c14-9-7-10(15)12(17)13(11(9)16)19-6-3-8-1-4-18-5-2-8/h1-2,4-5,7H,3,6H2.
What are the key properties of 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine?
4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine has a molecular weight of 287.28 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,5,6-tetrafluorophenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 658876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).