4-bromo-3-chloro-6-(methoxymethyl)pyridazine

C6H6BrClN2O — CID 117104949

IUPAC4-bromo-3-chloro-6-(methoxymethyl)pyridazine
SMILESCOCc1cc(Br)c(Cl)nn1
InChIInChI=1S/C6H6BrClN2O/c1-11-3-4-2-5(7)6(8)10-9-4/h2H,3H2,1H3
InChIKeyNWERJUADSTWEFL-UHFFFAOYSA-N
MW237.48 g/mol
LogP2.04
Rot. Bonds2

About 4-bromo-3-chloro-6-(methoxymethyl)pyridazine

4-bromo-3-chloro-6-(methoxymethyl)pyridazine (PubChem CID 117104949) has the molecular formula C6H6BrClN2O and a molecular weight of 237.48 g/mol. Its IUPAC name is 4-bromo-3-chloro-6-(methoxymethyl)pyridazine.

Molecular Properties

Compound Name4-bromo-3-chloro-6-(methoxymethyl)pyridazine
PubChem CID117104949
Molecular FormulaC6H6BrClN2O
Molecular Weight237.48 g/mol
Exact Mass235.94
IUPAC Name4-bromo-3-chloro-6-(methoxymethyl)pyridazine
SMILESCOCc1cc(Br)c(Cl)nn1
InChIInChI=1S/C6H6BrClN2O/c1-11-3-4-2-5(7)6(8)10-9-4/h2H,3H2,1H3
InChIKeyNWERJUADSTWEFL-UHFFFAOYSA-N
XLogP2.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 52.04
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-(methoxymethyl)pyridazine?
The IUPAC name of 4-bromo-3-chloro-6-(methoxymethyl)pyridazine (CID 117104949) is 4-bromo-3-chloro-6-(methoxymethyl)pyridazine.
What is the SMILES notation for 4-bromo-3-chloro-6-(methoxymethyl)pyridazine?
The canonical SMILES for 4-bromo-3-chloro-6-(methoxymethyl)pyridazine is COCc1cc(Br)c(Cl)nn1.
What is the InChIKey of 4-bromo-3-chloro-6-(methoxymethyl)pyridazine?
The InChIKey is NWERJUADSTWEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O/c1-11-3-4-2-5(7)6(8)10-9-4/h2H,3H2,1H3.
What are the key properties of 4-bromo-3-chloro-6-(methoxymethyl)pyridazine?
4-bromo-3-chloro-6-(methoxymethyl)pyridazine has a molecular weight of 237.48 g/mol, XLogP of 2.04, 2 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-(methoxymethyl)pyridazine is sourced from PubChem (CID 117104949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).