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

C10H8Cl4N2O3 — CID 4261495

IUPAC[2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESCCNC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl4N2O3/c1-2-15-4(17)3-19-10(18)8-6(12)5(11)7(13)9(14)16-8/h2-3H2,1H3,(H,15,17)
InChIKeyJZZPCYRSYZCSPQ-UHFFFAOYSA-N
MW346.00 g/mol
LogP2.99
Rot. Bonds4

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

[2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (PubChem CID 4261495) has the molecular formula C10H8Cl4N2O3 and a molecular weight of 346.00 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
PubChem CID4261495
Molecular FormulaC10H8Cl4N2O3
Molecular Weight346.00 g/mol
Exact Mass343.93
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESCCNC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl4N2O3/c1-2-15-4(17)3-19-10(18)8-6(12)5(11)7(13)9(14)16-8/h2-3H2,1H3,(H,15,17)
InChIKeyJZZPCYRSYZCSPQ-UHFFFAOYSA-N
XLogP2.99
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.00
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4539118
[2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 7633614
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 5107504
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 2482620
[2-(butan-2-ylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 4002610
[2-(4-methoxyphenyl)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 7277838
[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2589643
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 3943120
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 5238801
[2-(4-methylanilino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 2379405
[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662207
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (CID 4261495) is [2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate is CCNC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The InChIKey is JZZPCYRSYZCSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl4N2O3/c1-2-15-4(17)3-19-10(18)8-6(12)5(11)7(13)9(14)16-8/h2-3H2,1H3,(H,15,17).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
[2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate has a molecular weight of 346.00 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate is sourced from PubChem (CID 4261495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).