5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C6H5F3N2O2 — CID 57012818

IUPAC5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1cc(O)cnn1CC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-5(13)1-4(12)2-10-11/h1-2,12H,3H2
InChIKeyPMKPFHQBGUGWGS-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.51
Rot. Bonds1

About 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one

5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 57012818) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID57012818
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1cc(O)cnn1CC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-5(13)1-4(12)2-10-11/h1-2,12H,3H2
InChIKeyPMKPFHQBGUGWGS-UHFFFAOYSA-N
XLogP0.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-2-methyl-2,3-dihydropyridazin-3-one
CID 58493404
4-Chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 54720290
2-(Difluoromethyl)-5-methoxypyridazin-3-one
CID 173863258
5-Hydroxy-2-prop-2-ynylpyridazin-3-one
CID 57147962
2-(4-Hydroxy-6-oxopyridazin-1-yl)acetonitrile
CID 57213933
5-Hydroxy-2-propan-2-ylpyridazin-3-one
CID 129450951
2-Ethyl-5-hydroxy-2,3-dihydropyridazin-3-one
CID 129452088

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 57012818) is 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one is O=c1cc(O)cnn1CC(F)(F)F.
What is the InChIKey of 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is PMKPFHQBGUGWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-5(13)1-4(12)2-10-11/h1-2,12H,3H2.
What are the key properties of 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 194.11 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 57012818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).