2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one

C7H7F3N2O2 — CID 164645130

IUPAC2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESO=c1cc(C(F)(F)F)cnn1CCO
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)5-3-6(14)12(1-2-13)11-4-5/h3-4,13H,1-2H2
InChIKeyIMDYZZQVKVGTBG-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.25
Rot. Bonds2

About 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one

2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 164645130) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one
PubChem CID164645130
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESO=c1cc(C(F)(F)F)cnn1CCO
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)5-3-6(14)12(1-2-13)11-4-5/h3-4,13H,1-2H2
InChIKeyIMDYZZQVKVGTBG-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one (CID 164645130) is 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one is O=c1cc(C(F)(F)F)cnn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is IMDYZZQVKVGTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)5-3-6(14)12(1-2-13)11-4-5/h3-4,13H,1-2H2.
What are the key properties of 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one?
2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 208.14 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 164645130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).