[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

C11H11Cl3N2O4 — CID 2484884

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl3N2O4/c1-19-3-2-15-7(17)5-20-11(18)10-9(14)8(13)6(12)4-16-10/h4H,2-3,5H2,1H3,(H,15,17)
InChIKeyGOAKCZIAWXKPGB-UHFFFAOYSA-N
MW341.58 g/mol
LogP1.96
Rot. Bonds6

About [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 2484884) has the molecular formula C11H11Cl3N2O4 and a molecular weight of 341.58 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID2484884
Molecular FormulaC11H11Cl3N2O4
Molecular Weight341.58 g/mol
Exact Mass339.98
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl3N2O4/c1-19-3-2-15-7(17)5-20-11(18)10-9(14)8(13)6(12)4-16-10/h4H,2-3,5H2,1H3,(H,15,17)
InChIKeyGOAKCZIAWXKPGB-UHFFFAOYSA-N
XLogP1.96
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-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-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2424890
Ammonium 3,4,5-trichloropicolinate
CID 16682507
2-Pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester
CID 644682
[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
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 5024664
[(1-Cyanocyclohexyl)carbamoyl]methyl 3,4,5-trichloropyridine-2-carboxylate
CID 7351747
1-[(1-Cyanocyclohexyl)carbamoyl]ethyl 3,4,5-trichloropyridine-2-carboxylate
CID 16509047
({[(2-Chlorophenyl)carbamoyl]methyl}(methyl)carbamoyl)methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 24856171
[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
3,5-Dichloro-pyridine-2-carboxylic acid methyl ester
CID 225523

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 2484884) is [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is COCCNC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is GOAKCZIAWXKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N2O4/c1-19-3-2-15-7(17)5-20-11(18)10-9(14)8(13)6(12)4-16-10/h4H,2-3,5H2,1H3,(H,15,17).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 341.58 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 2484884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).