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

C6H4ClF3N2O2 — CID 54720290

IUPAC4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1CC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O2/c7-4-3(13)1-11-12(5(4)14)2-6(8,9)10/h1,13H,2H2
InChIKeyGLSDPSDPWPLTEV-UHFFFAOYSA-N
MW228.56 g/mol
LogP1.16
Rot. Bonds1

About 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one

4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 54720290) has the molecular formula C6H4ClF3N2O2 and a molecular weight of 228.56 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID54720290
Molecular FormulaC6H4ClF3N2O2
Molecular Weight228.56 g/mol
Exact Mass227.99
IUPAC Name4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1CC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O2/c7-4-3(13)1-11-12(5(4)14)2-6(8,9)10/h1,13H,2H2
InChIKeyGLSDPSDPWPLTEV-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.56
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 54720290) is 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one is O=c1c(Cl)c(O)cnn1CC(F)(F)F.
What is the InChIKey of 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is GLSDPSDPWPLTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O2/c7-4-3(13)1-11-12(5(4)14)2-6(8,9)10/h1,13H,2H2.
What are the key properties of 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 228.56 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 54720290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).