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

C11H8Cl2N2O2 — CID 2769258

IUPAC4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-8-4-2-7(3-5-8)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
InChIKeyQOHFCXUMUBYCMZ-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.55
Rot. Bonds2

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

4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 2769258) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one
PubChem CID2769258
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-8-4-2-7(3-5-8)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
InChIKeyQOHFCXUMUBYCMZ-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-2-(4-methoxyphenyl)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-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one (CID 2769258) is 4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is QOHFCXUMUBYCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-17-8-4-2-7(3-5-8)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3.
What are the key properties of 4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one?
4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 271.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 2769258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).