4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one

C8H8ClFN2O — CID 139696795

IUPAC4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one
SMILESCC(C)=Cn1ncc(F)c(Cl)c1=O
InChIInChI=1S/C8H8ClFN2O/c1-5(2)4-12-8(13)7(9)6(10)3-11-12/h3-4H,1-2H3
InChIKeyQTASMFCIAGHZPS-UHFFFAOYSA-N
MW202.62 g/mol
LogP1.92
Rot. Bonds1

About 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one

4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one (PubChem CID 139696795) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one
PubChem CID139696795
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one
SMILESCC(C)=Cn1ncc(F)c(Cl)c1=O
InChIInChI=1S/C8H8ClFN2O/c1-5(2)4-12-8(13)7(9)6(10)3-11-12/h3-4H,1-2H3
InChIKeyQTASMFCIAGHZPS-UHFFFAOYSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-5-fluoro-2-methylpyridazin-3-one
CID 84075943
4,5-dichloro-2-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515
4,5-Dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one
CID 139696792
4-Chloro-2,5-dimethylpyridazin-3-one;ethane
CID 164902787
4,5-Dichloro-2-(3-methylbut-2-enyl)pyridazin-3-one
CID 115571194
4-Chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one
CID 133439303

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one (CID 139696795) is 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one is CC(C)=Cn1ncc(F)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one?
The InChIKey is QTASMFCIAGHZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c1-5(2)4-12-8(13)7(9)6(10)3-11-12/h3-4H,1-2H3.
What are the key properties of 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one?
4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one has a molecular weight of 202.62 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one is sourced from PubChem (CID 139696795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).