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

C5H3BrCl2N2O — CID 4612286

IUPAC2-(bromomethyl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CBr
InChIInChI=1S/C5H3BrCl2N2O/c6-2-10-5(11)4(8)3(7)1-9-10/h1H,2H2
InChIKeySYXPYJNBJWPWKF-UHFFFAOYSA-N
MW257.90 g/mol
LogP1.90
Rot. Bonds1

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

2-(bromomethyl)-4,5-dichloropyridazin-3-one (PubChem CID 4612286) has the molecular formula C5H3BrCl2N2O and a molecular weight of 257.90 g/mol. Its IUPAC name is 2-(bromomethyl)-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-(bromomethyl)-4,5-dichloropyridazin-3-one
PubChem CID4612286
Molecular FormulaC5H3BrCl2N2O
Molecular Weight257.90 g/mol
Exact Mass255.88
IUPAC Name2-(bromomethyl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CBr
InChIInChI=1S/C5H3BrCl2N2O/c6-2-10-5(11)4(8)3(7)1-9-10/h1H,2H2
InChIKeySYXPYJNBJWPWKF-UHFFFAOYSA-N
XLogP1.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.90
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4,5-dichloropyridazin-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

Related Compounds

4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
CID 7844651
2-(butoxymethyl)-4,5-dichloropyridazin-3-one
CID 70995502
4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 102974987
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one
CID 114386429
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 115573232
4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
CID 2662480
4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one
CID 166162766
4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one
CID 78761108
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorobenzoate
CID 1474461
N-butan-2-yl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 18776930

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-(bromomethyl)-4,5-dichloropyridazin-3-one (CID 4612286) is 2-(bromomethyl)-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-(bromomethyl)-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-(bromomethyl)-4,5-dichloropyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CBr.
What is the InChIKey of 2-(bromomethyl)-4,5-dichloropyridazin-3-one?
The InChIKey is SYXPYJNBJWPWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrCl2N2O/c6-2-10-5(11)4(8)3(7)1-9-10/h1H,2H2.
What are the key properties of 2-(bromomethyl)-4,5-dichloropyridazin-3-one?
2-(bromomethyl)-4,5-dichloropyridazin-3-one has a molecular weight of 257.90 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 4612286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).