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

C7H7Cl2FN2O — CID 115705791

IUPAC4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCF
InChIInChI=1S/C7H7Cl2FN2O/c8-5-4-11-12(3-1-2-10)7(13)6(5)9/h4H,1-3H2
InChIKeyYTSRBXAPNUCMFC-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.91
Rot. Bonds3

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

4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one (PubChem CID 115705791) has the molecular formula C7H7Cl2FN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one
PubChem CID115705791
Molecular FormulaC7H7Cl2FN2O
Molecular Weight225.05 g/mol
Exact Mass223.99
IUPAC Name4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCF
InChIInChI=1S/C7H7Cl2FN2O/c8-5-4-11-12(3-1-2-10)7(13)6(5)9/h4H,1-3H2
InChIKeyYTSRBXAPNUCMFC-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.91
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
4,5-Dichloro-2-(2-oxopropyl)pyridazin-3-one
CID 5260661
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4,5-Dichloro-2-(1-oxopropyl)-3(2H)-pyridazinone
CID 3025880
3-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)propanoyl chloride
CID 20194938
3-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)propanal
CID 21274702
2-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride
CID 88672387

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one (CID 115705791) is 4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCCF.
What is the InChIKey of 4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one?
The InChIKey is YTSRBXAPNUCMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2O/c8-5-4-11-12(3-1-2-10)7(13)6(5)9/h4H,1-3H2.
What are the key properties of 4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one?
4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one has a molecular weight of 225.05 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-fluoropropyl)pyridazin-3-one is sourced from PubChem (CID 115705791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).