[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane

C14H13FN2O2S — CID 170607290

IUPAC[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1F)c1cccc(OC)c1
InChIInChI=1S/C14H13FN2O2S/c1-19-11-4-2-5-12(10-11)20(16,18)9-7-14-13(15)6-3-8-17-14/h2-10,16H,1H3/b9-7+
InChIKeyWBFSROSRUNKUBI-VQHVLOKHSA-N
MW292.34 g/mol
LogP3.31
Rot. Bonds4

About [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane

[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane (PubChem CID 170607290) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Name[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane
PubChem CID170607290
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1F)c1cccc(OC)c1
InChIInChI=1S/C14H13FN2O2S/c1-19-11-4-2-5-12(10-11)20(16,18)9-7-14-13(15)6-3-8-17-14/h2-10,16H,1H3/b9-7+
InChIKeyWBFSROSRUNKUBI-VQHVLOKHSA-N
XLogP3.31
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane?
The IUPAC name of [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane (CID 170607290) is [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane.
What is the SMILES notation for [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane?
The canonical SMILES for [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane is [H]N=S(=O)(/C=C/c1ncccc1F)c1cccc(OC)c1.
What is the InChIKey of [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane?
The InChIKey is WBFSROSRUNKUBI-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-19-11-4-2-5-12(10-11)20(16,18)9-7-14-13(15)6-3-8-17-14/h2-10,16H,1H3/b9-7+.
What are the key properties of [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane?
[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane has a molecular weight of 292.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-λ6-sulfane is sourced from PubChem (CID 170607290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).