3-bromo-6-(1-ethoxyethenyl)pyridazine

C8H9BrN2O — CID 165465622

IUPAC3-bromo-6-(1-ethoxyethenyl)pyridazine
SMILESC=C(OCC)c1ccc(Br)nn1
InChIInChI=1S/C8H9BrN2O/c1-3-12-6(2)7-4-5-8(9)11-10-7/h4-5H,2-3H2,1H3
InChIKeyGZERMECGUMGQNX-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.25
Rot. Bonds3

About 3-bromo-6-(1-ethoxyethenyl)pyridazine

3-bromo-6-(1-ethoxyethenyl)pyridazine (PubChem CID 165465622) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 3-bromo-6-(1-ethoxyethenyl)pyridazine.

Molecular Properties

Compound Name3-bromo-6-(1-ethoxyethenyl)pyridazine
PubChem CID165465622
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name3-bromo-6-(1-ethoxyethenyl)pyridazine
SMILESC=C(OCC)c1ccc(Br)nn1
InChIInChI=1S/C8H9BrN2O/c1-3-12-6(2)7-4-5-8(9)11-10-7/h4-5H,2-3H2,1H3
InChIKeyGZERMECGUMGQNX-UHFFFAOYSA-N
XLogP2.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(1-ethoxyethenyl)pyridazine?
The IUPAC name of 3-bromo-6-(1-ethoxyethenyl)pyridazine (CID 165465622) is 3-bromo-6-(1-ethoxyethenyl)pyridazine.
What is the SMILES notation for 3-bromo-6-(1-ethoxyethenyl)pyridazine?
The canonical SMILES for 3-bromo-6-(1-ethoxyethenyl)pyridazine is C=C(OCC)c1ccc(Br)nn1.
What is the InChIKey of 3-bromo-6-(1-ethoxyethenyl)pyridazine?
The InChIKey is GZERMECGUMGQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-3-12-6(2)7-4-5-8(9)11-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 3-bromo-6-(1-ethoxyethenyl)pyridazine?
3-bromo-6-(1-ethoxyethenyl)pyridazine has a molecular weight of 229.08 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(1-ethoxyethenyl)pyridazine is sourced from PubChem (CID 165465622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).