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

C10H5Cl3N2O — CID 779402

IUPAC4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H5Cl3N2O/c11-6-1-3-7(4-2-6)15-10(16)9(13)8(12)5-14-15/h1-5H
InChIKeyNSDMHMDFFLRTAE-UHFFFAOYSA-N
MW275.52 g/mol
LogP3.19
Rot. Bonds1

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

4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one (PubChem CID 779402) has the molecular formula C10H5Cl3N2O and a molecular weight of 275.52 g/mol. Its IUPAC name is 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one
PubChem CID779402
Molecular FormulaC10H5Cl3N2O
Molecular Weight275.52 g/mol
Exact Mass273.95
IUPAC Name4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H5Cl3N2O/c11-6-1-3-7(4-2-6)15-10(16)9(13)8(12)5-14-15/h1-5H
InChIKeyNSDMHMDFFLRTAE-UHFFFAOYSA-N
XLogP3.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.52
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one (CID 779402) is 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is NSDMHMDFFLRTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2O/c11-6-1-3-7(4-2-6)15-10(16)9(13)8(12)5-14-15/h1-5H.
What are the key properties of 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one?
4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one has a molecular weight of 275.52 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 779402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).