5-bromo-3-(methoxymethyl)pyridazine

C6H7BrN2O — CID 117104946

IUPAC5-bromo-3-(methoxymethyl)pyridazine
SMILESCOCc1cc(Br)cnn1
InChIInChI=1S/C6H7BrN2O/c1-10-4-6-2-5(7)3-8-9-6/h2-3H,4H2,1H3
InChIKeyFWVZMQQNTHSQNF-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.39
Rot. Bonds2

About 5-bromo-3-(methoxymethyl)pyridazine

5-bromo-3-(methoxymethyl)pyridazine (PubChem CID 117104946) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-3-(methoxymethyl)pyridazine.

Molecular Properties

Compound Name5-bromo-3-(methoxymethyl)pyridazine
PubChem CID117104946
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-3-(methoxymethyl)pyridazine
SMILESCOCc1cc(Br)cnn1
InChIInChI=1S/C6H7BrN2O/c1-10-4-6-2-5(7)3-8-9-6/h2-3H,4H2,1H3
InChIKeyFWVZMQQNTHSQNF-UHFFFAOYSA-N
XLogP1.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methoxymethyl)pyridazine?
The IUPAC name of 5-bromo-3-(methoxymethyl)pyridazine (CID 117104946) is 5-bromo-3-(methoxymethyl)pyridazine.
What is the SMILES notation for 5-bromo-3-(methoxymethyl)pyridazine?
The canonical SMILES for 5-bromo-3-(methoxymethyl)pyridazine is COCc1cc(Br)cnn1.
What is the InChIKey of 5-bromo-3-(methoxymethyl)pyridazine?
The InChIKey is FWVZMQQNTHSQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-10-4-6-2-5(7)3-8-9-6/h2-3H,4H2,1H3.
What are the key properties of 5-bromo-3-(methoxymethyl)pyridazine?
5-bromo-3-(methoxymethyl)pyridazine has a molecular weight of 203.04 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methoxymethyl)pyridazine is sourced from PubChem (CID 117104946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).