[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate

C11H10Cl4N2O4 — CID 2482633

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl4N2O4/c1-20-3-2-16-5(18)4-21-11(19)9-7(13)6(12)8(14)10(15)17-9/h2-4H2,1H3,(H,16,18)
InChIKeySFTIALSELVFXIO-UHFFFAOYSA-N
MW376.02 g/mol
LogP2.61
Rot. Bonds6

About [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate

[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (PubChem CID 2482633) has the molecular formula C11H10Cl4N2O4 and a molecular weight of 376.02 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
PubChem CID2482633
Molecular FormulaC11H10Cl4N2O4
Molecular Weight376.02 g/mol
Exact Mass373.94
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl4N2O4/c1-20-3-2-16-5(18)4-21-11(19)9-7(13)6(12)8(14)10(15)17-9/h2-4H2,1H3,(H,16,18)
InChIKeySFTIALSELVFXIO-UHFFFAOYSA-N
XLogP2.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.02
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (CID 2482633) is [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate is COCCNC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The InChIKey is SFTIALSELVFXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl4N2O4/c1-20-3-2-16-5(18)4-21-11(19)9-7(13)6(12)8(14)10(15)17-9/h2-4H2,1H3,(H,16,18).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate has a molecular weight of 376.02 g/mol, XLogP of 2.61, 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] 3,4,5,6-tetrachloropyridine-2-carboxylate is sourced from PubChem (CID 2482633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).