4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one

C11H8Br2N2O — CID 1487485

IUPAC4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(Br)c(Br)c2=O)cc1
InChIInChI=1S/C11H8Br2N2O/c1-7-2-4-8(5-3-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
InChIKeyZCPAEHXABHSKCD-UHFFFAOYSA-N
MW344.01 g/mol
LogP3.07
Rot. Bonds1

About 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one

4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 1487485) has the molecular formula C11H8Br2N2O and a molecular weight of 344.01 g/mol. Its IUPAC name is 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one
PubChem CID1487485
Molecular FormulaC11H8Br2N2O
Molecular Weight344.01 g/mol
Exact Mass341.90
IUPAC Name4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(Br)c(Br)c2=O)cc1
InChIInChI=1S/C11H8Br2N2O/c1-7-2-4-8(5-3-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
InChIKeyZCPAEHXABHSKCD-UHFFFAOYSA-N
XLogP3.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.01
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one (CID 1487485) is 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-n2ncc(Br)c(Br)c2=O)cc1.
What is the InChIKey of 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is ZCPAEHXABHSKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O/c1-7-2-4-8(5-3-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3.
What are the key properties of 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one?
4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 344.01 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 1487485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).