6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one

C16H12BrN3O — CID 16831237

IUPAC6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2cccc(Br)c2)nn1Cc1ccccn1
InChIInChI=1S/C16H12BrN3O/c17-13-5-3-4-12(10-13)15-7-8-16(21)20(19-15)11-14-6-1-2-9-18-14/h1-10H,11H2
InChIKeyGQPYMKFHLXFJAS-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.12
Rot. Bonds3

About 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one

6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one (PubChem CID 16831237) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
PubChem CID16831237
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2cccc(Br)c2)nn1Cc1ccccn1
InChIInChI=1S/C16H12BrN3O/c17-13-5-3-4-12(10-13)15-7-8-16(21)20(19-15)11-14-6-1-2-9-18-14/h1-10H,11H2
InChIKeyGQPYMKFHLXFJAS-UHFFFAOYSA-N
XLogP3.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one 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 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one (CID 16831237) is 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one is O=c1ccc(-c2cccc(Br)c2)nn1Cc1ccccn1.
What is the InChIKey of 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The InChIKey is GQPYMKFHLXFJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-13-5-3-4-12(10-13)15-7-8-16(21)20(19-15)11-14-6-1-2-9-18-14/h1-10H,11H2.
What are the key properties of 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one has a molecular weight of 342.20 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 16831237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).