3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine

C17H14FNO4S — CID 154851412

IUPAC3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine
SMILESCS(=O)(=O)c1cc(COc2cc(F)cc(-c3cccnc3)c2)co1
InChIInChI=1S/C17H14FNO4S/c1-24(20,21)17-5-12(11-23-17)10-22-16-7-14(6-15(18)8-16)13-3-2-4-19-9-13/h2-9,11H,10H2,1H3
InChIKeyRGZZMZXXTIWCSW-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.46
Rot. Bonds5

About 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine

3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine (PubChem CID 154851412) has the molecular formula C17H14FNO4S and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine
PubChem CID154851412
Molecular FormulaC17H14FNO4S
Molecular Weight347.37 g/mol
Exact Mass347.06
IUPAC Name3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine
SMILESCS(=O)(=O)c1cc(COc2cc(F)cc(-c3cccnc3)c2)co1
InChIInChI=1S/C17H14FNO4S/c1-24(20,21)17-5-12(11-23-17)10-22-16-7-14(6-15(18)8-16)13-3-2-4-19-9-13/h2-9,11H,10H2,1H3
InChIKeyRGZZMZXXTIWCSW-UHFFFAOYSA-N
XLogP3.46
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine?
The IUPAC name of 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine (CID 154851412) is 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine.
What is the SMILES notation for 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine?
The canonical SMILES for 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine is CS(=O)(=O)c1cc(COc2cc(F)cc(-c3cccnc3)c2)co1.
What is the InChIKey of 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine?
The InChIKey is RGZZMZXXTIWCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S/c1-24(20,21)17-5-12(11-23-17)10-22-16-7-14(6-15(18)8-16)13-3-2-4-19-9-13/h2-9,11H,10H2,1H3.
What are the key properties of 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine?
3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine has a molecular weight of 347.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-[(5-methylsulfonylfuran-3-yl)methoxy]phenyl]pyridine is sourced from PubChem (CID 154851412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).