2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile

C10H5F3N4OS — CID 169338543

IUPAC2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(SC(F)(F)F)ccc1O
InChIInChI=1S/C10H5F3N4OS/c11-10(12,13)19-7-1-2-9(18)8(3-7)17-16-6(4-14)5-15/h1-3,17-18H
InChIKeyHKIVXFIQLTXQGB-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.82
Rot. Bonds3

About 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169338543) has the molecular formula C10H5F3N4OS and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169338543
Molecular FormulaC10H5F3N4OS
Molecular Weight286.24 g/mol
Exact Mass286.01
IUPAC Name2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(SC(F)(F)F)ccc1O
InChIInChI=1S/C10H5F3N4OS/c11-10(12,13)19-7-1-2-9(18)8(3-7)17-16-6(4-14)5-15/h1-3,17-18H
InChIKeyHKIVXFIQLTXQGB-UHFFFAOYSA-N
XLogP2.82
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338100
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
methyl 2-[2-(dicyanomethylidene)hydrazinyl]-4-(trifluoromethyl)benzoate
CID 169337670
2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337449
2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341832
2-[[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339854
2-[(4-ethynyl-2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169340845
2-[[2-phenoxy-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340503
2-[2-(dicyanomethylidene)hydrazinyl]-4-thiophen-3-ylbenzoic acid
CID 169341212
2-[[2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339423
2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
CID 169337512
2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169340874

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile (CID 169338543) is 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(SC(F)(F)F)ccc1O.
What is the InChIKey of 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is HKIVXFIQLTXQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4OS/c11-10(12,13)19-7-1-2-9(18)8(3-7)17-16-6(4-14)5-15/h1-3,17-18H.
What are the key properties of 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 286.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).