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

C7H9BrN2O2 — CID 117104956

IUPAC4-bromo-3-methoxy-6-(methoxymethyl)pyridazine
SMILESCOCc1cc(Br)c(OC)nn1
InChIInChI=1S/C7H9BrN2O2/c1-11-4-5-3-6(8)7(12-2)10-9-5/h3H,4H2,1-2H3
InChIKeyZAINDFBLYPLAFC-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.39
Rot. Bonds3

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

4-bromo-3-methoxy-6-(methoxymethyl)pyridazine (PubChem CID 117104956) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-bromo-3-methoxy-6-(methoxymethyl)pyridazine.

Molecular Properties

Compound Name4-bromo-3-methoxy-6-(methoxymethyl)pyridazine
PubChem CID117104956
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name4-bromo-3-methoxy-6-(methoxymethyl)pyridazine
SMILESCOCc1cc(Br)c(OC)nn1
InChIInChI=1S/C7H9BrN2O2/c1-11-4-5-3-6(8)7(12-2)10-9-5/h3H,4H2,1-2H3
InChIKeyZAINDFBLYPLAFC-UHFFFAOYSA-N
XLogP1.39
TPSA44.24 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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine
CID 117105520
4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine
CID 117105528
4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine
CID 117106723
2-[(5-bromo-6-methoxypyridazin-3-yl)methyl]thiane 1,1-dioxide
CID 117106203
4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106215
5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one
CID 117104948
3-methoxy-6-(methoxymethyl)pyridazine
CID 117104950
4-bromo-3-methoxy-6-(2-methoxyphenyl)pyridazine
CID 117107100
5-bromo-3-(methoxymethyl)-1-methylpyrazole
CID 105456952
4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine
CID 117107017
[5-bromo-2-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068716
4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106594

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-6-(methoxymethyl)pyridazine?
The IUPAC name of 4-bromo-3-methoxy-6-(methoxymethyl)pyridazine (CID 117104956) is 4-bromo-3-methoxy-6-(methoxymethyl)pyridazine.
What is the SMILES notation for 4-bromo-3-methoxy-6-(methoxymethyl)pyridazine?
The canonical SMILES for 4-bromo-3-methoxy-6-(methoxymethyl)pyridazine is COCc1cc(Br)c(OC)nn1.
What is the InChIKey of 4-bromo-3-methoxy-6-(methoxymethyl)pyridazine?
The InChIKey is ZAINDFBLYPLAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-11-4-5-3-6(8)7(12-2)10-9-5/h3H,4H2,1-2H3.
What are the key properties of 4-bromo-3-methoxy-6-(methoxymethyl)pyridazine?
4-bromo-3-methoxy-6-(methoxymethyl)pyridazine has a molecular weight of 233.06 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-6-(methoxymethyl)pyridazine is sourced from PubChem (CID 117104956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).