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

C12H8Cl2N2O3 — CID 3025884

IUPAC4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one
SMILESCOc1ccc(C(=O)n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C12H8Cl2N2O3/c1-19-8-4-2-7(3-5-8)11(17)16-12(18)10(14)9(13)6-15-16/h2-6H,1H3
InChIKeyYMDJBSMXCVZKDP-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.25
Rot. Bonds2

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

4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one (PubChem CID 3025884) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one
PubChem CID3025884
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one
SMILESCOc1ccc(C(=O)n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C12H8Cl2N2O3/c1-19-8-4-2-7(3-5-8)11(17)16-12(18)10(14)9(13)6-15-16/h2-6H,1H3
InChIKeyYMDJBSMXCVZKDP-UHFFFAOYSA-N
XLogP2.25
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one (CID 3025884) is 4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one is COc1ccc(C(=O)n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one?
The InChIKey is YMDJBSMXCVZKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c1-19-8-4-2-7(3-5-8)11(17)16-12(18)10(14)9(13)6-15-16/h2-6H,1H3.
What are the key properties of 4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one?
4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one has a molecular weight of 299.11 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one is sourced from PubChem (CID 3025884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).