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

C8H6Cl3N3O — CID 168689693

IUPAC4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H6Cl3N3O/c9-4-1-7(15)14(3-4)5-2-6(10)12-13-8(5)11/h2,4H,1,3H2
InChIKeyUEPFJRKIPYCHJQ-UHFFFAOYSA-N
MW266.51 g/mol
LogP2.13
Rot. Bonds1

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

4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one (PubChem CID 168689693) has the molecular formula C8H6Cl3N3O and a molecular weight of 266.51 g/mol. Its IUPAC name is 4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
PubChem CID168689693
Molecular FormulaC8H6Cl3N3O
Molecular Weight266.51 g/mol
Exact Mass264.96
IUPAC Name4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H6Cl3N3O/c9-4-1-7(15)14(3-4)5-2-6(10)12-13-8(5)11/h2,4H,1,3H2
InChIKeyUEPFJRKIPYCHJQ-UHFFFAOYSA-N
XLogP2.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one
CID 168689527
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
CID 168688969
4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168689444
4-chloro-1-(3,5-dichloropyrazin-2-yl)pyrrolidin-2-one
CID 168688926
4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
CID 168689041
1-(2-amino-3,5-dimethylphenyl)-4-chloropyrrolidin-2-one
CID 168688113
1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688085
4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168687983
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one (CID 168689693) is 4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1cc(Cl)nnc1Cl.
What is the InChIKey of 4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
The InChIKey is UEPFJRKIPYCHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3N3O/c9-4-1-7(15)14(3-4)5-2-6(10)12-13-8(5)11/h2,4H,1,3H2.
What are the key properties of 4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one has a molecular weight of 266.51 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168689693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).