imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane

C14H11F3N2O2S — CID 170607374

IUPACimino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1OC(F)(F)F)c1ccccn1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)21-12-6-2-1-5-11(12)8-10-22(18,20)13-7-3-4-9-19-13/h1-10,18H/b10-8+
InChIKeyPQKWONQKSGFPCS-CSKARUKUSA-N
MW328.32 g/mol
LogP4.06
Rot. Bonds4

About imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane

imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane (PubChem CID 170607374) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane.

Molecular Properties

Compound Nameimino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane
PubChem CID170607374
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC Nameimino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1OC(F)(F)F)c1ccccn1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)21-12-6-2-1-5-11(12)8-10-22(18,20)13-7-3-4-9-19-13/h1-10,18H/b10-8+
InChIKeyPQKWONQKSGFPCS-CSKARUKUSA-N
XLogP4.06
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane?
The IUPAC name of imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane (CID 170607374) is imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane.
What is the SMILES notation for imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane?
The canonical SMILES for imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane is [H]N=S(=O)(/C=C/c1ccccc1OC(F)(F)F)c1ccccn1.
What is the InChIKey of imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane?
The InChIKey is PQKWONQKSGFPCS-CSKARUKUSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c15-14(16,17)21-12-6-2-1-5-11(12)8-10-22(18,20)13-7-3-4-9-19-13/h1-10,18H/b10-8+.
What are the key properties of imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane?
imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane has a molecular weight of 328.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-oxo-pyridin-2-yl-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-λ6-sulfane is sourced from PubChem (CID 170607374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).