3-(4-bromophenyl)-4-methylpyridazine

C11H9BrN2 — CID 162440611

IUPAC3-(4-bromophenyl)-4-methylpyridazine
SMILESCc1ccnnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2/c1-8-6-7-13-14-11(8)9-2-4-10(12)5-3-9/h2-7H,1H3
InChIKeyOSSXBUMGIGGBSX-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.21
Rot. Bonds1

About 3-(4-bromophenyl)-4-methylpyridazine

3-(4-bromophenyl)-4-methylpyridazine (PubChem CID 162440611) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-methylpyridazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-methylpyridazine
PubChem CID162440611
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name3-(4-bromophenyl)-4-methylpyridazine
SMILESCc1ccnnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2/c1-8-6-7-13-14-11(8)9-2-4-10(12)5-3-9/h2-7H,1H3
InChIKeyOSSXBUMGIGGBSX-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-methylpyridazine?
The IUPAC name of 3-(4-bromophenyl)-4-methylpyridazine (CID 162440611) is 3-(4-bromophenyl)-4-methylpyridazine.
What is the SMILES notation for 3-(4-bromophenyl)-4-methylpyridazine?
The canonical SMILES for 3-(4-bromophenyl)-4-methylpyridazine is Cc1ccnnc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-methylpyridazine?
The InChIKey is OSSXBUMGIGGBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c1-8-6-7-13-14-11(8)9-2-4-10(12)5-3-9/h2-7H,1H3.
What are the key properties of 3-(4-bromophenyl)-4-methylpyridazine?
3-(4-bromophenyl)-4-methylpyridazine has a molecular weight of 249.11 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-methylpyridazine is sourced from PubChem (CID 162440611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).