[3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate

C11H10Cl5NO4 — CID 10982190

IUPAC[3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate
SMILESCCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(=O)COC)c1Cl
InChIInChI=1S/C11H10Cl5NO4/c1-3-20-10-7(13)8(21-5(18)4-19-2)6(12)9(17-10)11(14,15)16/h3-4H2,1-2H3
InChIKeyUHAHVNURKXYZSN-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.17
Rot. Bonds5

About [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate

[3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate (PubChem CID 10982190) has the molecular formula C11H10Cl5NO4 and a molecular weight of 397.47 g/mol. Its IUPAC name is [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate.

Molecular Properties

Compound Name[3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate
PubChem CID10982190
Molecular FormulaC11H10Cl5NO4
Molecular Weight397.47 g/mol
Exact Mass394.91
IUPAC Name[3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate
SMILESCCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(=O)COC)c1Cl
InChIInChI=1S/C11H10Cl5NO4/c1-3-20-10-7(13)8(21-5(18)4-19-2)6(12)9(17-10)11(14,15)16/h3-4H2,1-2H3
InChIKeyUHAHVNURKXYZSN-UHFFFAOYSA-N
XLogP4.17
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate?
The IUPAC name of [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate (CID 10982190) is [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate.
What is the SMILES notation for [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate?
The canonical SMILES for [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate is CCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(=O)COC)c1Cl.
What is the InChIKey of [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate?
The InChIKey is UHAHVNURKXYZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl5NO4/c1-3-20-10-7(13)8(21-5(18)4-19-2)6(12)9(17-10)11(14,15)16/h3-4H2,1-2H3.
What are the key properties of [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate?
[3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate has a molecular weight of 397.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate is sourced from PubChem (CID 10982190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).