6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C12H9F3N2O2 — CID 19044185

IUPAC6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1ccc(-c2cccc(O)c2)nn1CC(F)(F)F
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)7-17-11(19)5-4-10(16-17)8-2-1-3-9(18)6-8/h1-6,18H,7H2
InChIKeyKKUDXOKHDMURBM-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.18
Rot. Bonds2

About 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 19044185) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID19044185
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1ccc(-c2cccc(O)c2)nn1CC(F)(F)F
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)7-17-11(19)5-4-10(16-17)8-2-1-3-9(18)6-8/h1-6,18H,7H2
InChIKeyKKUDXOKHDMURBM-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 19044185) is 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is O=c1ccc(-c2cccc(O)c2)nn1CC(F)(F)F.
What is the InChIKey of 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is KKUDXOKHDMURBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)7-17-11(19)5-4-10(16-17)8-2-1-3-9(18)6-8/h1-6,18H,7H2.
What are the key properties of 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 270.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 19044185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).