2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine

C18H13F2NOS — CID 91585755

IUPAC2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine
SMILESFc1ccc(Oc2cccc(SCc3ccccc3)n2)c(F)c1
InChIInChI=1S/C18H13F2NOS/c19-14-9-10-16(15(20)11-14)22-17-7-4-8-18(21-17)23-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyVARGVASBGBBRBK-UHFFFAOYSA-N
MW329.37 g/mol
LogP5.44
Rot. Bonds5

About 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine

2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine (PubChem CID 91585755) has the molecular formula C18H13F2NOS and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine.

Molecular Properties

Compound Name2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine
PubChem CID91585755
Molecular FormulaC18H13F2NOS
Molecular Weight329.37 g/mol
Exact Mass329.07
IUPAC Name2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine
SMILESFc1ccc(Oc2cccc(SCc3ccccc3)n2)c(F)c1
InChIInChI=1S/C18H13F2NOS/c19-14-9-10-16(15(20)11-14)22-17-7-4-8-18(21-17)23-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyVARGVASBGBBRBK-UHFFFAOYSA-N
XLogP5.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 55053506
4-(2,4-difluorophenoxy)-2-[(3-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033850
2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine
CID 46033216
4-tert-butyl-6-(2-fluorophenoxy)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine
CID 46033702
2-[(6-ethoxy-2-pyridinyl)oxy]-5-fluoroaniline
CID 63591138
4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine
CID 61267682
4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 91633841
2-benzylsulfanyl-6-(2,4-difluorophenoxy)-8-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one;ethane
CID 142161306
4-benzylsulfanyl-2-chloro-6-(4-fluorophenyl)pyrimidine
CID 146491031
2-(2,4-difluorophenoxy)-4,8-dimethylquinoline
CID 3838364
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline
CID 112781074
2-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-6-(2-fluorophenoxy)pyrimidine
CID 46033520

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine?
The IUPAC name of 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine (CID 91585755) is 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine.
What is the SMILES notation for 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine?
The canonical SMILES for 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine is Fc1ccc(Oc2cccc(SCc3ccccc3)n2)c(F)c1.
What is the InChIKey of 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine?
The InChIKey is VARGVASBGBBRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NOS/c19-14-9-10-16(15(20)11-14)22-17-7-4-8-18(21-17)23-12-13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine?
2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine has a molecular weight of 329.37 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-(2,4-difluorophenoxy)pyridine is sourced from PubChem (CID 91585755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).