2-(2-bromoethyl)-4,5-dichloropyridazin-3-one

C6H5BrCl2N2O — CID 10659749

IUPAC2-(2-bromoethyl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCBr
InChIInChI=1S/C6H5BrCl2N2O/c7-1-2-11-6(12)5(9)4(8)3-10-11/h3H,1-2H2
InChIKeyRMABZLBXMBMLAV-UHFFFAOYSA-N
MW271.93 g/mol
LogP1.95
Rot. Bonds2

About 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one

2-(2-bromoethyl)-4,5-dichloropyridazin-3-one (PubChem CID 10659749) has the molecular formula C6H5BrCl2N2O and a molecular weight of 271.93 g/mol. Its IUPAC name is 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-(2-bromoethyl)-4,5-dichloropyridazin-3-one
PubChem CID10659749
Molecular FormulaC6H5BrCl2N2O
Molecular Weight271.93 g/mol
Exact Mass269.90
IUPAC Name2-(2-bromoethyl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCBr
InChIInChI=1S/C6H5BrCl2N2O/c7-1-2-11-6(12)5(9)4(8)3-10-11/h3H,1-2H2
InChIKeyRMABZLBXMBMLAV-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.93
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one (CID 10659749) is 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one?
The InChIKey is RMABZLBXMBMLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrCl2N2O/c7-1-2-11-6(12)5(9)4(8)3-10-11/h3H,1-2H2.
What are the key properties of 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one?
2-(2-bromoethyl)-4,5-dichloropyridazin-3-one has a molecular weight of 271.93 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 10659749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).