6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one

C8H7BrF2N2O — CID 169238570

IUPAC6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1C1CC(F)(F)C1
InChIInChI=1S/C8H7BrF2N2O/c9-6-1-2-7(14)13(12-6)5-3-8(10,11)4-5/h1-2,5H,3-4H2
InChIKeyDURZOLRXHHRKRZ-UHFFFAOYSA-N
MW265.06 g/mol
LogP1.98
Rot. Bonds1

About 6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one

6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one (PubChem CID 169238570) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one
PubChem CID169238570
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1C1CC(F)(F)C1
InChIInChI=1S/C8H7BrF2N2O/c9-6-1-2-7(14)13(12-6)5-3-8(10,11)4-5/h1-2,5H,3-4H2
InChIKeyDURZOLRXHHRKRZ-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-(3,3-difluorocyclobutyl)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-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one?
The IUPAC name of 6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one (CID 169238570) is 6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one.
What is the SMILES notation for 6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one?
The canonical SMILES for 6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one is O=c1ccc(Br)nn1C1CC(F)(F)C1.
What is the InChIKey of 6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one?
The InChIKey is DURZOLRXHHRKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c9-6-1-2-7(14)13(12-6)5-3-8(10,11)4-5/h1-2,5H,3-4H2.
What are the key properties of 6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one?
6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one has a molecular weight of 265.06 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one is sourced from PubChem (CID 169238570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).