[2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate

C11H10Cl4N2O3 — CID 2482629

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl4N2O3/c1-4(2)16-5(18)3-20-11(19)9-7(13)6(12)8(14)10(15)17-9/h4H,3H2,1-2H3,(H,16,18)
InChIKeyRHRLUMYWOGUQDS-UHFFFAOYSA-N
MW360.02 g/mol
LogP3.38
Rot. Bonds4

About [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (PubChem CID 2482629) has the molecular formula C11H10Cl4N2O3 and a molecular weight of 360.02 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
PubChem CID2482629
Molecular FormulaC11H10Cl4N2O3
Molecular Weight360.02 g/mol
Exact Mass357.94
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl4N2O3/c1-4(2)16-5(18)3-20-11(19)9-7(13)6(12)8(14)10(15)17-9/h4H,3H2,1-2H3,(H,16,18)
InChIKeyRHRLUMYWOGUQDS-UHFFFAOYSA-N
XLogP3.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (CID 2482629) is [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate is CC(C)NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The InChIKey is RHRLUMYWOGUQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl4N2O3/c1-4(2)16-5(18)3-20-11(19)9-7(13)6(12)8(14)10(15)17-9/h4H,3H2,1-2H3,(H,16,18).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate has a molecular weight of 360.02 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate is sourced from PubChem (CID 2482629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).