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

C14H12F3N3O2S — CID 170607367

IUPACimino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1C(F)(F)F)c1ncccc1OC
InChIInChI=1S/C14H12F3N3O2S/c1-22-12-5-3-8-20-13(12)23(18,21)9-6-11-10(14(15,16)17)4-2-7-19-11/h2-9,18H,1H3/b9-6+
InChIKeyADPKJKBNEQXYAE-RMKNXTFCSA-N
MW343.33 g/mol
LogP3.58
Rot. Bonds4

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

imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane (PubChem CID 170607367) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane.

Molecular Properties

Compound Nameimino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane
PubChem CID170607367
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Nameimino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1C(F)(F)F)c1ncccc1OC
InChIInChI=1S/C14H12F3N3O2S/c1-22-12-5-3-8-20-13(12)23(18,21)9-6-11-10(14(15,16)17)4-2-7-19-11/h2-9,18H,1H3/b9-6+
InChIKeyADPKJKBNEQXYAE-RMKNXTFCSA-N
XLogP3.58
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane with MolForge

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Related Compounds

1-[4-Fluoro-5-(2-fluoropyridin-3-yl)-1-(5-methoxypyridine-2-sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine
CID 67177931
[(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607276
[(E)-2-(2-chlorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607284
[(E)-2-(3-chloro-2-pyridinyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607289
imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-lambda6-sulfane
CID 170607296
[(E)-2-(2-fluorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607300
imino-(5-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-lambda6-sulfane
CID 170607318
[(E)-2-(3-chloro-2-pyridinyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607331
imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-lambda6-sulfane
CID 170607336
imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-lambda6-sulfane
CID 170607355
[(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607363
imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-lambda6-sulfane
CID 170607370

Frequently Asked Questions

What is the IUPAC name of imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane?
The IUPAC name of imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane (CID 170607367) is imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane.
What is the SMILES notation for imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane?
The canonical SMILES for imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane is [H]N=S(=O)(/C=C/c1ncccc1C(F)(F)F)c1ncccc1OC.
What is the InChIKey of imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane?
The InChIKey is ADPKJKBNEQXYAE-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c1-22-12-5-3-8-20-13(12)23(18,21)9-6-11-10(14(15,16)17)4-2-7-19-11/h2-9,18H,1H3/b9-6+.
What are the key properties of imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane?
imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane has a molecular weight of 343.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane is sourced from PubChem (CID 170607367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).