1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one

C8H6BrCl2N3O — CID 168689527

IUPAC1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nnc(Cl)cc1Br
InChIInChI=1S/C8H6BrCl2N3O/c9-5-2-6(11)12-13-8(5)14-3-4(10)1-7(14)15/h2,4H,1,3H2
InChIKeyFNUQTDSYMZTWFB-UHFFFAOYSA-N
MW310.97 g/mol
LogP2.24
Rot. Bonds1

About 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one

1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one (PubChem CID 168689527) has the molecular formula C8H6BrCl2N3O and a molecular weight of 310.97 g/mol. Its IUPAC name is 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one
PubChem CID168689527
Molecular FormulaC8H6BrCl2N3O
Molecular Weight310.97 g/mol
Exact Mass308.91
IUPAC Name1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nnc(Cl)cc1Br
InChIInChI=1S/C8H6BrCl2N3O/c9-5-2-6(11)12-13-8(5)14-3-4(10)1-7(14)15/h2,4H,1,3H2
InChIKeyFNUQTDSYMZTWFB-UHFFFAOYSA-N
XLogP2.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.97
LogP ≤ 52.24
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-(4-bromo-6-chloropyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715793
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
CID 168689693
4-chloro-1-(3,5-dichloropyrazin-2-yl)pyrrolidin-2-one
CID 168688926
1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168687878
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
CID 168688969
1-(3-bromo-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688351
1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
CID 168687986
1-(2-bromo-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688070
1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688168
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168687885

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one (CID 168689527) is 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one is O=C1CC(Cl)CN1c1nnc(Cl)cc1Br.
What is the InChIKey of 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one?
The InChIKey is FNUQTDSYMZTWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2N3O/c9-5-2-6(11)12-13-8(5)14-3-4(10)1-7(14)15/h2,4H,1,3H2.
What are the key properties of 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one?
1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one has a molecular weight of 310.97 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168689527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).