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

C7H9BrN2O2 — CID 117104984

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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Related Compounds

5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one
CID 117104948
5-bromo-3-ethyl-1H-pyridazin-6-one
CID 117106895
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161
2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 136678766
5-bromo-3-[(1,1-dioxothian-4-yl)methyl]-1H-pyridazin-6-one
CID 117105429
5-bromo-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one
CID 117105335
5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide
CID 178014551
5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 117107083
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 135978360
5-bromo-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one
CID 117106433
3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine
CID 71485160

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).