[(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane

C14H13FN2O2S — CID 170607363

IUPAC[(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1F)c1ncccc1OC
InChIInChI=1S/C14H13FN2O2S/c1-19-13-7-4-9-17-14(13)20(16,18)10-8-11-5-2-3-6-12(11)15/h2-10,16H,1H3/b10-8+
InChIKeyJFSCARJKPRTMJV-CSKARUKUSA-N
MW292.34 g/mol
LogP3.31
Rot. Bonds4

About [(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane

[(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane (PubChem CID 170607363) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is [(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Name[(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane
PubChem CID170607363
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name[(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1F)c1ncccc1OC
InChIInChI=1S/C14H13FN2O2S/c1-19-13-7-4-9-17-14(13)20(16,18)10-8-11-5-2-3-6-12(11)15/h2-10,16H,1H3/b10-8+
InChIKeyJFSCARJKPRTMJV-CSKARUKUSA-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-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
The IUPAC name of [(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane (CID 170607363) is [(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane.
What is the SMILES notation for [(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
The canonical SMILES for [(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane is [H]N=S(=O)(/C=C/c1ccccc1F)c1ncccc1OC.
What is the InChIKey of [(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
The InChIKey is JFSCARJKPRTMJV-CSKARUKUSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-19-13-7-4-9-17-14(13)20(16,18)10-8-11-5-2-3-6-12(11)15/h2-10,16H,1H3/b10-8+.
What are the key properties of [(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
[(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-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-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-λ6-sulfane is sourced from PubChem (CID 170607363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).