2-(2-bromoethyl)-6-methoxypyridazin-3-one

C7H9BrN2O2 — CID 105061600

IUPAC2-(2-bromoethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCBr)n1
InChIInChI=1S/C7H9BrN2O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5H2,1H3
InChIKeyFIIYGMZPHIEDPI-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.65
Rot. Bonds3

About 2-(2-bromoethyl)-6-methoxypyridazin-3-one

2-(2-bromoethyl)-6-methoxypyridazin-3-one (PubChem CID 105061600) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-(2-bromoethyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-bromoethyl)-6-methoxypyridazin-3-one
PubChem CID105061600
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name2-(2-bromoethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCBr)n1
InChIInChI=1S/C7H9BrN2O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5H2,1H3
InChIKeyFIIYGMZPHIEDPI-UHFFFAOYSA-N
XLogP0.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-methoxy-6-pyridazone
CID 96429
2-Allyl-6-allyloxy-3-pyridazone
CID 12843594
2-(2,2-Difluoroethyl)-6-methoxypyridazin-3-one
CID 130627801
2-(2-Cyanoethyl)-2,3-dihydro-6-methoxy-3-oxopyridazine
CID 587495
6-Bromo-2-(2-methoxyethyl)pyridazin-3(2H)-one
CID 124927944
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2-(5-Bromopentyl)-6-methoxypyridazin-3-one
CID 105061590
2-[[1-(Bromomethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one
CID 105061591
2-[2-(Bromomethyl)-3-methylbutyl]-6-methoxypyridazin-3-one
CID 105061592
2-[2-(Bromomethyl)butyl]-6-methoxypyridazin-3-one
CID 105061593
2-(4-Bromobutyl)-6-methoxypyridazin-3-one
CID 105061596
2-(3-Bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one
CID 105061598

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-bromoethyl)-6-methoxypyridazin-3-one (CID 105061600) is 2-(2-bromoethyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-bromoethyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-bromoethyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCBr)n1.
What is the InChIKey of 2-(2-bromoethyl)-6-methoxypyridazin-3-one?
The InChIKey is FIIYGMZPHIEDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5H2,1H3.
What are the key properties of 2-(2-bromoethyl)-6-methoxypyridazin-3-one?
2-(2-bromoethyl)-6-methoxypyridazin-3-one has a molecular weight of 233.06 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).