5-bromo-3-(2-methoxyethyl)pyridazine

C7H9BrN2O — CID 117104982

IUPAC5-bromo-3-(2-methoxyethyl)pyridazine
SMILESCOCCc1cc(Br)cnn1
InChIInChI=1S/C7H9BrN2O/c1-11-3-2-7-4-6(8)5-9-10-7/h4-5H,2-3H2,1H3
InChIKeyRMDCUNMLAYBQOC-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.43
Rot. Bonds3

About 5-bromo-3-(2-methoxyethyl)pyridazine

5-bromo-3-(2-methoxyethyl)pyridazine (PubChem CID 117104982) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)pyridazine.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)pyridazine
PubChem CID117104982
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name5-bromo-3-(2-methoxyethyl)pyridazine
SMILESCOCCc1cc(Br)cnn1
InChIInChI=1S/C7H9BrN2O/c1-11-3-2-7-4-6(8)5-9-10-7/h4-5H,2-3H2,1H3
InChIKeyRMDCUNMLAYBQOC-UHFFFAOYSA-N
XLogP1.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyethyl)pyridazine?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)pyridazine (CID 117104982) is 5-bromo-3-(2-methoxyethyl)pyridazine.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)pyridazine?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)pyridazine is COCCc1cc(Br)cnn1.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)pyridazine?
The InChIKey is RMDCUNMLAYBQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-11-3-2-7-4-6(8)5-9-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-3-(2-methoxyethyl)pyridazine?
5-bromo-3-(2-methoxyethyl)pyridazine has a molecular weight of 217.07 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethyl)pyridazine is sourced from PubChem (CID 117104982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).