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

C6H6Br2N2O2 — CID 11673796

IUPAC4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CCO
InChIInChI=1S/C6H6Br2N2O2/c7-4-3-9-10(1-2-11)6(12)5(4)8/h3,11H,1-2H2
InChIKeyVBHWPDNPCYKSSU-UHFFFAOYSA-N
MW297.93 g/mol
LogP0.76
Rot. Bonds2

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

4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 11673796) has the molecular formula C6H6Br2N2O2 and a molecular weight of 297.93 g/mol. Its IUPAC name is 4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID11673796
Molecular FormulaC6H6Br2N2O2
Molecular Weight297.93 g/mol
Exact Mass295.88
IUPAC Name4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CCO
InChIInChI=1S/C6H6Br2N2O2/c7-4-3-9-10(1-2-11)6(12)5(4)8/h3,11H,1-2H2
InChIKeyVBHWPDNPCYKSSU-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.93
LogP ≤ 50.76
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-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one (CID 11673796) is 4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one is O=c1c(Br)c(Br)cnn1CCO.
What is the InChIKey of 4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is VBHWPDNPCYKSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2O2/c7-4-3-9-10(1-2-11)6(12)5(4)8/h3,11H,1-2H2.
What are the key properties of 4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one?
4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 297.93 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 11673796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).