5-(3-bromophenyl)-3-methoxypyridazine

C11H9BrN2O — CID 11694609

IUPAC5-(3-bromophenyl)-3-methoxypyridazine
SMILESCOc1cc(-c2cccc(Br)c2)cnn1
InChIInChI=1S/C11H9BrN2O/c1-15-11-6-9(7-13-14-11)8-3-2-4-10(12)5-8/h2-7H,1H3
InChIKeyQWAJTMZOUBZYBE-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.91
Rot. Bonds2

About 5-(3-bromophenyl)-3-methoxypyridazine

5-(3-bromophenyl)-3-methoxypyridazine (PubChem CID 11694609) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-methoxypyridazine.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-methoxypyridazine
PubChem CID11694609
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-(3-bromophenyl)-3-methoxypyridazine
SMILESCOc1cc(-c2cccc(Br)c2)cnn1
InChIInChI=1S/C11H9BrN2O/c1-15-11-6-9(7-13-14-11)8-3-2-4-10(12)5-8/h2-7H,1H3
InChIKeyQWAJTMZOUBZYBE-UHFFFAOYSA-N
XLogP2.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-methoxypyridazine?
The IUPAC name of 5-(3-bromophenyl)-3-methoxypyridazine (CID 11694609) is 5-(3-bromophenyl)-3-methoxypyridazine.
What is the SMILES notation for 5-(3-bromophenyl)-3-methoxypyridazine?
The canonical SMILES for 5-(3-bromophenyl)-3-methoxypyridazine is COc1cc(-c2cccc(Br)c2)cnn1.
What is the InChIKey of 5-(3-bromophenyl)-3-methoxypyridazine?
The InChIKey is QWAJTMZOUBZYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-15-11-6-9(7-13-14-11)8-3-2-4-10(12)5-8/h2-7H,1H3.
What are the key properties of 5-(3-bromophenyl)-3-methoxypyridazine?
5-(3-bromophenyl)-3-methoxypyridazine has a molecular weight of 265.11 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-methoxypyridazine is sourced from PubChem (CID 11694609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).