2-fluoro-5-(2-phenylsulfanylethoxy)pyridine

C13H12FNOS — CID 115371564

IUPAC2-fluoro-5-(2-phenylsulfanylethoxy)pyridine
SMILESFc1ccc(OCCSc2ccccc2)cn1
InChIInChI=1S/C13H12FNOS/c14-13-7-6-11(10-15-13)16-8-9-17-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyVKSZLCDUFUUIRI-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.39
Rot. Bonds5

About 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine

2-fluoro-5-(2-phenylsulfanylethoxy)pyridine (PubChem CID 115371564) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine.

Molecular Properties

Compound Name2-fluoro-5-(2-phenylsulfanylethoxy)pyridine
PubChem CID115371564
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name2-fluoro-5-(2-phenylsulfanylethoxy)pyridine
SMILESFc1ccc(OCCSc2ccccc2)cn1
InChIInChI=1S/C13H12FNOS/c14-13-7-6-11(10-15-13)16-8-9-17-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyVKSZLCDUFUUIRI-UHFFFAOYSA-N
XLogP3.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine?
The IUPAC name of 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine (CID 115371564) is 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine.
What is the SMILES notation for 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine?
The canonical SMILES for 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine is Fc1ccc(OCCSc2ccccc2)cn1.
What is the InChIKey of 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine?
The InChIKey is VKSZLCDUFUUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c14-13-7-6-11(10-15-13)16-8-9-17-12-4-2-1-3-5-12/h1-7,10H,8-9H2.
What are the key properties of 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine?
2-fluoro-5-(2-phenylsulfanylethoxy)pyridine has a molecular weight of 249.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-phenylsulfanylethoxy)pyridine is sourced from PubChem (CID 115371564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).