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5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one

C7H9BrN2O2 — CID 117104984

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one
SMILESCOCCc1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C7H9BrN2O2/c1-12-3-2-5-4-6(8)7(11)10-9-5/h4H,2-3H2,1H3,(H,10,11)
InChIKeyMBGGBDAXXAXYNM-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.72
Rot. Bonds3

About 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one

5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one (PubChem CID 117104984) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one
PubChem CID117104984
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one
SMILESCOCCc1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C7H9BrN2O2/c1-12-3-2-5-4-6(8)7(11)10-9-5/h4H,2-3H2,1H3,(H,10,11)
InChIKeyMBGGBDAXXAXYNM-UHFFFAOYSA-N
XLogP0.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one (CID 117104984) is 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one is COCCc1cc(Br)c(=O)[nH]n1.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one?
The InChIKey is MBGGBDAXXAXYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-12-3-2-5-4-6(8)7(11)10-9-5/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one?
5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one has a molecular weight of 233.06 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 117104984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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