4-chloro-2-(trifluoromethyl)pyridazin-3-one

C5H2ClF3N2O — CID 174258625

IUPAC4-chloro-2-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(Cl)ccnn1C(F)(F)F
InChIInChI=1S/C5H2ClF3N2O/c6-3-1-2-10-11(4(3)12)5(7,8)9/h1-2H
InChIKeyOYZODACHVIARTK-UHFFFAOYSA-N
MW198.53 g/mol
LogP1.37
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)pyridazin-3-one

4-chloro-2-(trifluoromethyl)pyridazin-3-one (PubChem CID 174258625) has the molecular formula C5H2ClF3N2O and a molecular weight of 198.53 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)pyridazin-3-one
PubChem CID174258625
Molecular FormulaC5H2ClF3N2O
Molecular Weight198.53 g/mol
Exact Mass197.98
IUPAC Name4-chloro-2-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(Cl)ccnn1C(F)(F)F
InChIInChI=1S/C5H2ClF3N2O/c6-3-1-2-10-11(4(3)12)5(7,8)9/h1-2H
InChIKeyOYZODACHVIARTK-UHFFFAOYSA-N
XLogP1.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.53
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(trifluoromethyl)pyridazin-3-one (CID 174258625) is 4-chloro-2-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)pyridazin-3-one is O=c1c(Cl)ccnn1C(F)(F)F.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)pyridazin-3-one?
The InChIKey is OYZODACHVIARTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2O/c6-3-1-2-10-11(4(3)12)5(7,8)9/h1-2H.
What are the key properties of 4-chloro-2-(trifluoromethyl)pyridazin-3-one?
4-chloro-2-(trifluoromethyl)pyridazin-3-one has a molecular weight of 198.53 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 174258625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).