[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate

C12H8Cl4N2O4 — CID 24686900

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl4N2O4/c13-7-8(14)10(17-11(16)9(7)15)12(21)22-4-6(20)18-3-1-2-5(18)19/h1-4H2
InChIKeyGTGTVQVDPORVJY-UHFFFAOYSA-N
MW386.02 g/mol
LogP3.00
Rot. Bonds3

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (PubChem CID 24686900) has the molecular formula C12H8Cl4N2O4 and a molecular weight of 386.02 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
PubChem CID24686900
Molecular FormulaC12H8Cl4N2O4
Molecular Weight386.02 g/mol
Exact Mass383.92
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl4N2O4/c13-7-8(14)10(17-11(16)9(7)15)12(21)22-4-6(20)18-3-1-2-5(18)19/h1-4H2
InChIKeyGTGTVQVDPORVJY-UHFFFAOYSA-N
XLogP3.00
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.02
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate 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

[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 7633679
[2-(Cyclohexylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 4235394
[(1,1-Dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 4838791
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7351704
2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl 3,6-dichloropyridine-2-carboxylate
CID 2633537
3,4,5,6-Tetrachloro-pyridine-2-carboxylic acid ethyl ester
CID 728695
[2-(Methylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 5218413
(1-Morpholin-4-yl-1-oxopropan-2-yl) 3,4,5-trichloropyridine-2-carboxylate
CID 16277832
[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 16278395
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 2482621
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 4394285
[2-(2-Methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484884

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (CID 24686900) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate is O=C(OCC(=O)N1CCCC1=O)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The InChIKey is GTGTVQVDPORVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N2O4/c13-7-8(14)10(17-11(16)9(7)15)12(21)22-4-6(20)18-3-1-2-5(18)19/h1-4H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate has a molecular weight of 386.02 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate is sourced from PubChem (CID 24686900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).