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

C12H9Cl3N2O4 — CID 7351704

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H9Cl3N2O4/c13-6-4-16-11(10(15)9(6)14)12(20)21-5-8(19)17-3-1-2-7(17)18/h4H,1-3,5H2
InChIKeyBYPCALIUEOVZRK-UHFFFAOYSA-N
MW351.57 g/mol
LogP2.35
Rot. Bonds3

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

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 7351704) has the molecular formula C12H9Cl3N2O4 and a molecular weight of 351.57 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID7351704
Molecular FormulaC12H9Cl3N2O4
Molecular Weight351.57 g/mol
Exact Mass349.96
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H9Cl3N2O4/c13-6-4-16-11(10(15)9(6)14)12(20)21-5-8(19)17-3-1-2-7(17)18/h4H,1-3,5H2
InChIKeyBYPCALIUEOVZRK-UHFFFAOYSA-N
XLogP2.35
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.57
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2494573
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4025840
[(1-Cyanocyclohexyl)carbamoyl]methyl 3,4,5-trichloropyridine-2-carboxylate
CID 7351747
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 3,4,5-trichloropyridine-2-carboxylate
CID 24980813
2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 24686900
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 7633679
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2495487
[2-(Cycloheptylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4269366
Ethyl 4-methyl-2-oxo-6-(((3,4,5-trichloropicolinoyl)oxy)methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 24978750
[2-(Benzylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484977
2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl 3,6-dichloropyridine-2-carboxylate
CID 2633537
(2-Benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate
CID 7351715

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 7351704) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate is O=C(OCC(=O)N1CCCC1=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is BYPCALIUEOVZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O4/c13-6-4-16-11(10(15)9(6)14)12(20)21-5-8(19)17-3-1-2-7(17)18/h4H,1-3,5H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 351.57 g/mol, XLogP of 2.35, 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-trichloropyridine-2-carboxylate is sourced from PubChem (CID 7351704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).