4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine

C7H8BrClN2O — CID 117104985

IUPAC4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine
SMILESCOCCc1cc(Br)c(Cl)nn1
InChIInChI=1S/C7H8BrClN2O/c1-12-3-2-5-4-6(8)7(9)11-10-5/h4H,2-3H2,1H3
InChIKeyBUTRFWAMZAGNCO-UHFFFAOYSA-N
MW251.51 g/mol
LogP2.08
Rot. Bonds3

About 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine

4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine (PubChem CID 117104985) has the molecular formula C7H8BrClN2O and a molecular weight of 251.51 g/mol. Its IUPAC name is 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine.

Molecular Properties

Compound Name4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine
PubChem CID117104985
Molecular FormulaC7H8BrClN2O
Molecular Weight251.51 g/mol
Exact Mass249.95
IUPAC Name4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine
SMILESCOCCc1cc(Br)c(Cl)nn1
InChIInChI=1S/C7H8BrClN2O/c1-12-3-2-5-4-6(8)7(9)11-10-5/h4H,2-3H2,1H3
InChIKeyBUTRFWAMZAGNCO-UHFFFAOYSA-N
XLogP2.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine?
The IUPAC name of 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine (CID 117104985) is 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine.
What is the SMILES notation for 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine?
The canonical SMILES for 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine is COCCc1cc(Br)c(Cl)nn1.
What is the InChIKey of 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine?
The InChIKey is BUTRFWAMZAGNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O/c1-12-3-2-5-4-6(8)7(9)11-10-5/h4H,2-3H2,1H3.
What are the key properties of 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine?
4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine has a molecular weight of 251.51 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-6-(2-methoxyethyl)pyridazine is sourced from PubChem (CID 117104985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).