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

C10H9Cl3N2O3 — CID 4539118

IUPAC[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCCNC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H9Cl3N2O3/c1-2-14-6(16)4-18-10(17)9-8(13)7(12)5(11)3-15-9/h3H,2,4H2,1H3,(H,14,16)
InChIKeyWFONJXHWFOLHNL-UHFFFAOYSA-N
MW311.55 g/mol
LogP2.33
Rot. Bonds4

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

[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 4539118) has the molecular formula C10H9Cl3N2O3 and a molecular weight of 311.55 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID4539118
Molecular FormulaC10H9Cl3N2O3
Molecular Weight311.55 g/mol
Exact Mass309.97
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCCNC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H9Cl3N2O3/c1-2-14-6(16)4-18-10(17)9-8(13)7(12)5(11)3-15-9/h3H,2,4H2,1H3,(H,14,16)
InChIKeyWFONJXHWFOLHNL-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.55
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 8569441
[2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 4261495
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484869
[2-(4-acetylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2485001
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 8569484
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484985
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4257818
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7519397
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7351701
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 41156292
[2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4270126
[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2589643

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 4539118) is [2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is CCNC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is WFONJXHWFOLHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O3/c1-2-14-6(16)4-18-10(17)9-8(13)7(12)5(11)3-15-9/h3H,2,4H2,1H3,(H,14,16).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 311.55 g/mol, XLogP of 2.33, 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-trichloropyridine-2-carboxylate is sourced from PubChem (CID 4539118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).