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

C11H12Cl3N3O4 — CID 7633614

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl
InChIInChI=1S/C11H12Cl3N3O4/c1-20-3-2-16-5(18)4-21-11(19)9-6(12)8(15)7(13)10(14)17-9/h2-4H2,1H3,(H2,15,17)(H,16,18)
InChIKeyQKUCREPFZCRUER-UHFFFAOYSA-N
MW356.59 g/mol
LogP1.54
Rot. Bonds6

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

[2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate (PubChem CID 7633614) has the molecular formula C11H12Cl3N3O4 and a molecular weight of 356.59 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
PubChem CID7633614
Molecular FormulaC11H12Cl3N3O4
Molecular Weight356.59 g/mol
Exact Mass354.99
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl
InChIInChI=1S/C11H12Cl3N3O4/c1-20-3-2-16-5(18)4-21-11(19)9-6(12)8(15)7(13)10(14)17-9/h2-4H2,1H3,(H2,15,17)(H,16,18)
InChIKeyQKUCREPFZCRUER-UHFFFAOYSA-N
XLogP1.54
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

[2-(butan-2-ylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 4002610
propyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 3090753
[2-(4-methylanilino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 2379405
[2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 4261495
[2-(3-methoxypropylamino)-2-oxoethyl] 3-amino-4,5-dichlorobenzoate
CID 61486880
[2-(2-methoxyethylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620148
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 3351194
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2505375
[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702375
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate (CID 7633614) is [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate is COCCNC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The InChIKey is QKUCREPFZCRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3N3O4/c1-20-3-2-16-5(18)4-21-11(19)9-6(12)8(15)7(13)10(14)17-9/h2-4H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate has a molecular weight of 356.59 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate is sourced from PubChem (CID 7633614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).