5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine

C14H14FNS — CID 2054541

IUPAC5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine
SMILESCc1ccc(CCSc2ccc(F)cc2)cn1
InChIInChI=1S/C14H14FNS/c1-11-2-3-12(10-16-11)8-9-17-14-6-4-13(15)5-7-14/h2-7,10H,8-9H2,1H3
InChIKeyOKAONPYMGBATSB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.86
Rot. Bonds4

About 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine

5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine (PubChem CID 2054541) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine
PubChem CID2054541
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine
SMILESCc1ccc(CCSc2ccc(F)cc2)cn1
InChIInChI=1S/C14H14FNS/c1-11-2-3-12(10-16-11)8-9-17-14-6-4-13(15)5-7-14/h2-7,10H,8-9H2,1H3
InChIKeyOKAONPYMGBATSB-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine?
The IUPAC name of 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine (CID 2054541) is 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine.
What is the SMILES notation for 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine?
The canonical SMILES for 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine is Cc1ccc(CCSc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine?
The InChIKey is OKAONPYMGBATSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-11-2-3-12(10-16-11)8-9-17-14-6-4-13(15)5-7-14/h2-7,10H,8-9H2,1H3.
What are the key properties of 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine?
5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine has a molecular weight of 247.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridine is sourced from PubChem (CID 2054541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).