4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one

C9H4Br3N3O — CID 65347944

IUPAC4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C9H4Br3N3O/c10-5-1-2-7(13-3-5)15-9(16)8(12)6(11)4-14-15/h1-4H
InChIKeyAAEOCJRDMKIHJM-UHFFFAOYSA-N
MW409.86 g/mol
LogP2.91
Rot. Bonds1

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

4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one (PubChem CID 65347944) has the molecular formula C9H4Br3N3O and a molecular weight of 409.86 g/mol. Its IUPAC name is 4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one
PubChem CID65347944
Molecular FormulaC9H4Br3N3O
Molecular Weight409.86 g/mol
Exact Mass406.79
IUPAC Name4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C9H4Br3N3O/c10-5-1-2-7(13-3-5)15-9(16)8(12)6(11)4-14-15/h1-4H
InChIKeyAAEOCJRDMKIHJM-UHFFFAOYSA-N
XLogP2.91
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.86
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one (CID 65347944) is 4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one is O=c1c(Br)c(Br)cnn1-c1ccc(Br)cn1.
What is the InChIKey of 4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one?
The InChIKey is AAEOCJRDMKIHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3N3O/c10-5-1-2-7(13-3-5)15-9(16)8(12)6(11)4-14-15/h1-4H.
What are the key properties of 4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one?
4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one has a molecular weight of 409.86 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one is sourced from PubChem (CID 65347944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).