2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine

C19H15F2NO2S — CID 14154406

IUPAC2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine
SMILESFc1cc(F)cc(Oc2ccc(OCCSc3ccccn3)cc2)c1
InChIInChI=1S/C19H15F2NO2S/c20-14-11-15(21)13-18(12-14)24-17-6-4-16(5-7-17)23-9-10-25-19-3-1-2-8-22-19/h1-8,11-13H,9-10H2
InChIKeySJNCCJRAGZUAGE-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.32
Rot. Bonds7

About 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine

2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine (PubChem CID 14154406) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine
PubChem CID14154406
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine
SMILESFc1cc(F)cc(Oc2ccc(OCCSc3ccccn3)cc2)c1
InChIInChI=1S/C19H15F2NO2S/c20-14-11-15(21)13-18(12-14)24-17-6-4-16(5-7-17)23-9-10-25-19-3-1-2-8-22-19/h1-8,11-13H,9-10H2
InChIKeySJNCCJRAGZUAGE-UHFFFAOYSA-N
XLogP5.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine
CID 43530482
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
CID 47105922
2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
CID 142063341
1,3-difluoro-5-phenoxybenzene
CID 13455928
(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108813
2-pyridin-2-ylsulfanylethyl hydrogen carbonate
CID 138511771
2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride
CID 86262476
2-[2-(4-chlorophenoxy)ethylsulfanyl]pyrimidine
CID 2184843
2-but-3-enylsulfanylpyridine
CID 15727474
2-[3-(4-phenoxyphenoxy)propyl]pyridine
CID 14154439
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554634
3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
CID 102817924

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine?
The IUPAC name of 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine (CID 14154406) is 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine.
What is the SMILES notation for 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine?
The canonical SMILES for 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine is Fc1cc(F)cc(Oc2ccc(OCCSc3ccccn3)cc2)c1.
What is the InChIKey of 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine?
The InChIKey is SJNCCJRAGZUAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-14-11-15(21)13-18(12-14)24-17-6-4-16(5-7-17)23-9-10-25-19-3-1-2-8-22-19/h1-8,11-13H,9-10H2.
What are the key properties of 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine?
2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine has a molecular weight of 359.40 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine is sourced from PubChem (CID 14154406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).