4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one

C9H8Cl3N3O — CID 168509366

IUPAC4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H8Cl3N3O/c10-3-5-1-8(16)15(4-5)6-2-7(11)13-14-9(6)12/h2,5H,1,3-4H2
InChIKeyZBZJFUUCQREBLX-UHFFFAOYSA-N
MW280.54 g/mol
LogP2.38
Rot. Bonds2

About 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one

4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one (PubChem CID 168509366) has the molecular formula C9H8Cl3N3O and a molecular weight of 280.54 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
PubChem CID168509366
Molecular FormulaC9H8Cl3N3O
Molecular Weight280.54 g/mol
Exact Mass278.97
IUPAC Name4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H8Cl3N3O/c10-3-5-1-8(16)15(4-5)6-2-7(11)13-14-9(6)12/h2,5H,1,3-4H2
InChIKeyZBZJFUUCQREBLX-UHFFFAOYSA-N
XLogP2.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-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-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one (CID 168509366) is 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1cc(Cl)nnc1Cl.
What is the InChIKey of 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
The InChIKey is ZBZJFUUCQREBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3N3O/c10-3-5-1-8(16)15(4-5)6-2-7(11)13-14-9(6)12/h2,5H,1,3-4H2.
What are the key properties of 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one has a molecular weight of 280.54 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168509366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).