2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate

C13H17Br2NO5 — CID 177248911

IUPAC2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate
SMILESCCOCCOCCOC(=O)COc1ccc(Br)c(Br)n1
InChIInChI=1S/C13H17Br2NO5/c1-2-18-5-6-19-7-8-20-12(17)9-21-11-4-3-10(14)13(15)16-11/h3-4H,2,5-9H2,1H3
InChIKeyYVNSAACTFHQXTF-UHFFFAOYSA-N
MW427.09 g/mol
LogP2.58
Rot. Bonds10

About 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate

2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate (PubChem CID 177248911) has the molecular formula C13H17Br2NO5 and a molecular weight of 427.09 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate
PubChem CID177248911
Molecular FormulaC13H17Br2NO5
Molecular Weight427.09 g/mol
Exact Mass424.95
IUPAC Name2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate
SMILESCCOCCOCCOC(=O)COc1ccc(Br)c(Br)n1
InChIInChI=1S/C13H17Br2NO5/c1-2-18-5-6-19-7-8-20-12(17)9-21-11-4-3-10(14)13(15)16-11/h3-4H,2,5-9H2,1H3
InChIKeyYVNSAACTFHQXTF-UHFFFAOYSA-N
XLogP2.58
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.09
LogP ≤ 52.58
H-Bond Donors ≤ 50
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-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
CID 166194032
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
CID 78832274
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate
CID 59544536
ethyl 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetate
CID 59525632
ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate
CID 167740848
ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate
CID 143887613
2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid
CID 168935322

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate (CID 177248911) is 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate is CCOCCOCCOC(=O)COc1ccc(Br)c(Br)n1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate?
The InChIKey is YVNSAACTFHQXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO5/c1-2-18-5-6-19-7-8-20-12(17)9-21-11-4-3-10(14)13(15)16-11/h3-4H,2,5-9H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate?
2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate has a molecular weight of 427.09 g/mol, XLogP of 2.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 177248911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).