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

C12H10Cl3N3O4 — CID 7633679

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
SMILESNc1c(Cl)c(Cl)nc(C(=O)OCC(=O)N2CCCC2=O)c1Cl
InChIInChI=1S/C12H10Cl3N3O4/c13-7-9(16)8(14)11(15)17-10(7)12(21)22-4-6(20)18-3-1-2-5(18)19/h1-4H2,(H2,16,17)
InChIKeyFLXRSHSEBXQTRP-UHFFFAOYSA-N
MW366.59 g/mol
LogP1.93
Rot. Bonds3

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

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate (PubChem CID 7633679) has the molecular formula C12H10Cl3N3O4 and a molecular weight of 366.59 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
PubChem CID7633679
Molecular FormulaC12H10Cl3N3O4
Molecular Weight366.59 g/mol
Exact Mass364.97
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
SMILESNc1c(Cl)c(Cl)nc(C(=O)OCC(=O)N2CCCC2=O)c1Cl
InChIInChI=1S/C12H10Cl3N3O4/c13-7-9(16)8(14)11(15)17-10(7)12(21)22-4-6(20)18-3-1-2-5(18)19/h1-4H2,(H2,16,17)
InChIKeyFLXRSHSEBXQTRP-UHFFFAOYSA-N
XLogP1.93
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate with MolForge

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Related Compounds

4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester
CID 2305185
Picloram-methyl
CID 84224
Picloram isooctyl ester
CID 18772488
Picloram, octyl ester
CID 4463130
Picloram, heptyl ester
CID 4392588
[2-(Benzylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 4855153
2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 24686900
2-Methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 728701
Pentyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 1556894
[2-(Cyclohexylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 4235394
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7351704
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 7633792

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate (CID 7633679) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate is Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)N2CCCC2=O)c1Cl.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The InChIKey is FLXRSHSEBXQTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O4/c13-7-9(16)8(14)11(15)17-10(7)12(21)22-4-6(20)18-3-1-2-5(18)19/h1-4H2,(H2,16,17).
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate has a molecular weight of 366.59 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate is sourced from PubChem (CID 7633679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).