3-(3-bromophenyl)pyridazine

C10H7BrN2 — CID 117106961

IUPAC3-(3-bromophenyl)pyridazine
SMILESBrc1cccc(-c2cccnn2)c1
InChIInChI=1S/C10H7BrN2/c11-9-4-1-3-8(7-9)10-5-2-6-12-13-10/h1-7H
InChIKeyNXBNOSMYAVWXNA-UHFFFAOYSA-N
MW235.08 g/mol
LogP2.91
Rot. Bonds1

About 3-(3-bromophenyl)pyridazine

3-(3-bromophenyl)pyridazine (PubChem CID 117106961) has the molecular formula C10H7BrN2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 3-(3-bromophenyl)pyridazine.

Molecular Properties

Compound Name3-(3-bromophenyl)pyridazine
PubChem CID117106961
Molecular FormulaC10H7BrN2
Molecular Weight235.08 g/mol
Exact Mass233.98
IUPAC Name3-(3-bromophenyl)pyridazine
SMILESBrc1cccc(-c2cccnn2)c1
InChIInChI=1S/C10H7BrN2/c11-9-4-1-3-8(7-9)10-5-2-6-12-13-10/h1-7H
InChIKeyNXBNOSMYAVWXNA-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromophenyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)pyridazine?
The IUPAC name of 3-(3-bromophenyl)pyridazine (CID 117106961) is 3-(3-bromophenyl)pyridazine.
What is the SMILES notation for 3-(3-bromophenyl)pyridazine?
The canonical SMILES for 3-(3-bromophenyl)pyridazine is Brc1cccc(-c2cccnn2)c1.
What is the InChIKey of 3-(3-bromophenyl)pyridazine?
The InChIKey is NXBNOSMYAVWXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2/c11-9-4-1-3-8(7-9)10-5-2-6-12-13-10/h1-7H.
What are the key properties of 3-(3-bromophenyl)pyridazine?
3-(3-bromophenyl)pyridazine has a molecular weight of 235.08 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)pyridazine is sourced from PubChem (CID 117106961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).