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

C5H4Br2N2O2 — CID 4276798

IUPAC4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CO
InChIInChI=1S/C5H4Br2N2O2/c6-3-1-8-9(2-10)5(11)4(3)7/h1,10H,2H2
InChIKeyFKYNEVKOGQZOQG-UHFFFAOYSA-N
MW283.91 g/mol
LogP0.72
Rot. Bonds1

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

4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one (PubChem CID 4276798) has the molecular formula C5H4Br2N2O2 and a molecular weight of 283.91 g/mol. Its IUPAC name is 4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one
PubChem CID4276798
Molecular FormulaC5H4Br2N2O2
Molecular Weight283.91 g/mol
Exact Mass281.86
IUPAC Name4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CO
InChIInChI=1S/C5H4Br2N2O2/c6-3-1-8-9(2-10)5(11)4(3)7/h1,10H,2H2
InChIKeyFKYNEVKOGQZOQG-UHFFFAOYSA-N
XLogP0.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.91
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one (CID 4276798) is 4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one is O=c1c(Br)c(Br)cnn1CO.
What is the InChIKey of 4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one?
The InChIKey is FKYNEVKOGQZOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2N2O2/c6-3-1-8-9(2-10)5(11)4(3)7/h1,10H,2H2.
What are the key properties of 4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one?
4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one has a molecular weight of 283.91 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(hydroxymethyl)pyridazin-3-one is sourced from PubChem (CID 4276798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).