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

C7H8Br2N2O2 — CID 115576914

IUPAC4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C7H8Br2N2O2/c1-13-3-2-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3
InChIKeyYIUODYXMFSZIJA-UHFFFAOYSA-N
MW311.96 g/mol
LogP1.41
Rot. Bonds3

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

4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 115576914) has the molecular formula C7H8Br2N2O2 and a molecular weight of 311.96 g/mol. Its IUPAC name is 4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID115576914
Molecular FormulaC7H8Br2N2O2
Molecular Weight311.96 g/mol
Exact Mass309.90
IUPAC Name4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C7H8Br2N2O2/c1-13-3-2-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3
InChIKeyYIUODYXMFSZIJA-UHFFFAOYSA-N
XLogP1.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.96
LogP ≤ 51.41
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-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one (CID 115576914) is 4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is YIUODYXMFSZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2O2/c1-13-3-2-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3.
What are the key properties of 4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one?
4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 311.96 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 115576914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).