4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one

C7H5Cl3N2O2 — CID 56990836

IUPAC4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one
SMILESO=C(CCl)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H5Cl3N2O2/c8-1-4(13)3-12-7(14)6(10)5(9)2-11-12/h2H,1,3H2
InChIKeyHOHSPSFWMWODGJ-UHFFFAOYSA-N
MW255.49 g/mol
LogP1.36
Rot. Bonds3

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

4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one (PubChem CID 56990836) has the molecular formula C7H5Cl3N2O2 and a molecular weight of 255.49 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one
PubChem CID56990836
Molecular FormulaC7H5Cl3N2O2
Molecular Weight255.49 g/mol
Exact Mass253.94
IUPAC Name4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one
SMILESO=C(CCl)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H5Cl3N2O2/c8-1-4(13)3-12-7(14)6(10)5(9)2-11-12/h2H,1,3H2
InChIKeyHOHSPSFWMWODGJ-UHFFFAOYSA-N
XLogP1.36
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.49
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one (CID 56990836) is 4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one is O=C(CCl)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one?
The InChIKey is HOHSPSFWMWODGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3N2O2/c8-1-4(13)3-12-7(14)6(10)5(9)2-11-12/h2H,1,3H2.
What are the key properties of 4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one?
4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one has a molecular weight of 255.49 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-chloro-2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 56990836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).