ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate

C9H8Cl3NO3 — CID 3085207

IUPACethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3NO3/c1-2-15-7(14)4-16-9-6(11)3-5(10)8(12)13-9/h3H,2,4H2,1H3
InChIKeyKXAVVWXJUDQGDA-UHFFFAOYSA-N
MW284.53 g/mol
LogP2.98
Rot. Bonds4

About ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate

ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate (PubChem CID 3085207) has the molecular formula C9H8Cl3NO3 and a molecular weight of 284.53 g/mol. Its IUPAC name is ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
PubChem CID3085207
Molecular FormulaC9H8Cl3NO3
Molecular Weight284.53 g/mol
Exact Mass282.96
IUPAC Nameethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3NO3/c1-2-15-7(14)4-16-9-6(11)3-5(10)8(12)13-9/h3H,2,4H2,1H3
InChIKeyKXAVVWXJUDQGDA-UHFFFAOYSA-N
XLogP2.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate?
The IUPAC name of ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate (CID 3085207) is ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate is CCOC(=O)COc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate?
The InChIKey is KXAVVWXJUDQGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO3/c1-2-15-7(14)4-16-9-6(11)3-5(10)8(12)13-9/h3H,2,4H2,1H3.
What are the key properties of ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate?
ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate has a molecular weight of 284.53 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 3085207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).