4,5-dibromo-3-ethoxy-1H-pyridazin-6-one

C6H6Br2N2O2 — CID 2749209

IUPAC4,5-dibromo-3-ethoxy-1H-pyridazin-6-one
SMILESCCOc1n[nH]c(=O)c(Br)c1Br
InChIInChI=1S/C6H6Br2N2O2/c1-2-12-6-4(8)3(7)5(11)9-10-6/h2H2,1H3,(H,9,11)
InChIKeyPUQWWQLMHWLSKL-UHFFFAOYSA-N
MW297.93 g/mol
LogP1.69
Rot. Bonds2

About 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one

4,5-dibromo-3-ethoxy-1H-pyridazin-6-one (PubChem CID 2749209) has the molecular formula C6H6Br2N2O2 and a molecular weight of 297.93 g/mol. Its IUPAC name is 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name4,5-dibromo-3-ethoxy-1H-pyridazin-6-one
PubChem CID2749209
Molecular FormulaC6H6Br2N2O2
Molecular Weight297.93 g/mol
Exact Mass295.88
IUPAC Name4,5-dibromo-3-ethoxy-1H-pyridazin-6-one
SMILESCCOc1n[nH]c(=O)c(Br)c1Br
InChIInChI=1S/C6H6Br2N2O2/c1-2-12-6-4(8)3(7)5(11)9-10-6/h2H2,1H3,(H,9,11)
InChIKeyPUQWWQLMHWLSKL-UHFFFAOYSA-N
XLogP1.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.93
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one?
The IUPAC name of 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one (CID 2749209) is 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one.
What is the SMILES notation for 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one?
The canonical SMILES for 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one is CCOc1n[nH]c(=O)c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one?
The InChIKey is PUQWWQLMHWLSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2O2/c1-2-12-6-4(8)3(7)5(11)9-10-6/h2H2,1H3,(H,9,11).
What are the key properties of 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one?
4,5-dibromo-3-ethoxy-1H-pyridazin-6-one has a molecular weight of 297.93 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-3-ethoxy-1H-pyridazin-6-one is sourced from PubChem (CID 2749209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).