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

C12H7Cl3N2O2 — CID 900971

IUPAC4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl3N2O2/c13-8-3-1-7(2-4-8)10(18)6-17-12(19)11(15)9(14)5-16-17/h1-5H,6H2
InChIKeyKXKJYOGUPLQEES-UHFFFAOYSA-N
MW317.56 g/mol
LogP3.09
Rot. Bonds3

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

4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 900971) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID900971
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl3N2O2/c13-8-3-1-7(2-4-8)10(18)6-17-12(19)11(15)9(14)5-16-17/h1-5H,6H2
InChIKeyKXKJYOGUPLQEES-UHFFFAOYSA-N
XLogP3.09
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one (CID 900971) is 4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is KXKJYOGUPLQEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-8-3-1-7(2-4-8)10(18)6-17-12(19)11(15)9(14)5-16-17/h1-5H,6H2.
What are the key properties of 4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 317.56 g/mol, XLogP of 3.09, 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-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 900971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).