4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one

C6H5Cl2FN2O — CID 115659144

IUPAC4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCF
InChIInChI=1S/C6H5Cl2FN2O/c7-4-3-10-11(2-1-9)6(12)5(4)8/h3H,1-2H2
InChIKeyGTSQKCVHJFVEOS-UHFFFAOYSA-N
MW211.02 g/mol
LogP1.52
Rot. Bonds2

About 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one

4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one (PubChem CID 115659144) has the molecular formula C6H5Cl2FN2O and a molecular weight of 211.02 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one
PubChem CID115659144
Molecular FormulaC6H5Cl2FN2O
Molecular Weight211.02 g/mol
Exact Mass209.98
IUPAC Name4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCF
InChIInChI=1S/C6H5Cl2FN2O/c7-4-3-10-11(2-1-9)6(12)5(4)8/h3H,1-2H2
InChIKeyGTSQKCVHJFVEOS-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.02
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
3(2H)-Pyridazinone, 4,5-dichloro-2-acetyl-
CID 3025879
4,5-dichloro-2-ethyl-3(2H)-pyridazinone
CID 676426
4,5-Dichloro-2-(2-chloroethyl)pyridazin-3-one
CID 247944
3(2H)-Pyridazinone, 4,5-dichloro-2-(3-(dimethylamino)propyl)-, monohydrochloride
CID 209861
4,5-Dichloro-2-(2,2,2-trifluoroethyl)-3(2H)-pyridazinone
CID 13881556
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4,5-dichloro-2-[2-(diethylamino)ethyl]-3(2H)-pyridazinone
CID 120474
3-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)propanoyl chloride
CID 20194938
2-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride
CID 88672387
2-(2-Aminoethyl)-4-chloro-5-fluoropyridazin-3-one
CID 150699899
4,5-Dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
CID 175344533

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one (CID 115659144) is 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCF.
What is the InChIKey of 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one?
The InChIKey is GTSQKCVHJFVEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2O/c7-4-3-10-11(2-1-9)6(12)5(4)8/h3H,1-2H2.
What are the key properties of 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one?
4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one has a molecular weight of 211.02 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2-fluoroethyl)pyridazin-3-one is sourced from PubChem (CID 115659144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).