4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one

C7H4Br2Cl2N2O — CID 115701744

IUPAC4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1C/C(Cl)=C\Cl
InChIInChI=1S/C7H4Br2Cl2N2O/c8-5-2-12-13(3-4(11)1-10)7(14)6(5)9/h1-2H,3H2/b4-1+
InChIKeyDGHAHSJVFRDGMR-DAFODLJHSA-N
MW362.84 g/mol
LogP3.09
Rot. Bonds2

About 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one

4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one (PubChem CID 115701744) has the molecular formula C7H4Br2Cl2N2O and a molecular weight of 362.84 g/mol. Its IUPAC name is 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one
PubChem CID115701744
Molecular FormulaC7H4Br2Cl2N2O
Molecular Weight362.84 g/mol
Exact Mass359.81
IUPAC Name4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1C/C(Cl)=C\Cl
InChIInChI=1S/C7H4Br2Cl2N2O/c8-5-2-12-13(3-4(11)1-10)7(14)6(5)9/h1-2H,3H2/b4-1+
InChIKeyDGHAHSJVFRDGMR-DAFODLJHSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]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 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one (CID 115701744) is 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one is O=c1c(Br)c(Br)cnn1C/C(Cl)=C\Cl.
What is the InChIKey of 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one?
The InChIKey is DGHAHSJVFRDGMR-DAFODLJHSA-N. The full InChI is InChI=1S/C7H4Br2Cl2N2O/c8-5-2-12-13(3-4(11)1-10)7(14)6(5)9/h1-2H,3H2/b4-1+.
What are the key properties of 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one?
4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one has a molecular weight of 362.84 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 115701744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).