3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine

C13H9F2NO2S — CID 146380834

IUPAC3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1ncccc1F)c1cccc(F)c1
InChIInChI=1S/C13H9F2NO2S/c14-10-3-1-4-11(9-10)19(17,18)8-6-13-12(15)5-2-7-16-13/h1-9H/b8-6+
InChIKeyYXPPUPITMIKNSR-SOFGYWHQSA-N
MW281.28 g/mol
LogP2.80
Rot. Bonds3

About 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine

3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine (PubChem CID 146380834) has the molecular formula C13H9F2NO2S and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
PubChem CID146380834
Molecular FormulaC13H9F2NO2S
Molecular Weight281.28 g/mol
Exact Mass281.03
IUPAC Name3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1ncccc1F)c1cccc(F)c1
InChIInChI=1S/C13H9F2NO2S/c14-10-3-1-4-11(9-10)19(17,18)8-6-13-12(15)5-2-7-16-13/h1-9H/b8-6+
InChIKeyYXPPUPITMIKNSR-SOFGYWHQSA-N
XLogP2.80
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine (CID 146380834) is 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C/c1ncccc1F)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
The InChIKey is YXPPUPITMIKNSR-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H9F2NO2S/c14-10-3-1-4-11(9-10)19(17,18)8-6-13-12(15)5-2-7-16-13/h1-9H/b8-6+.
What are the key properties of 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine has a molecular weight of 281.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 146380834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).