2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate

C13H17BrFNO5 — CID 167715320

IUPAC2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate
SMILESCCOCCOCCOC(=O)COc1ccc(F)c(Br)n1
InChIInChI=1S/C13H17BrFNO5/c1-2-18-5-6-19-7-8-20-12(17)9-21-11-4-3-10(15)13(14)16-11/h3-4H,2,5-9H2,1H3
InChIKeyUWSLHKYHGYLOJM-UHFFFAOYSA-N
MW366.18 g/mol
LogP1.96
Rot. Bonds10

About 2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate

2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate (PubChem CID 167715320) has the molecular formula C13H17BrFNO5 and a molecular weight of 366.18 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate
PubChem CID167715320
Molecular FormulaC13H17BrFNO5
Molecular Weight366.18 g/mol
Exact Mass365.03
IUPAC Name2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate
SMILESCCOCCOCCOC(=O)COc1ccc(F)c(Br)n1
InChIInChI=1S/C13H17BrFNO5/c1-2-18-5-6-19-7-8-20-12(17)9-21-11-4-3-10(15)13(14)16-11/h3-4H,2,5-9H2,1H3
InChIKeyUWSLHKYHGYLOJM-UHFFFAOYSA-N
XLogP1.96
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 51.96
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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate (CID 167715320) is 2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate is CCOCCOCCOC(=O)COc1ccc(F)c(Br)n1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate?
The InChIKey is UWSLHKYHGYLOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO5/c1-2-18-5-6-19-7-8-20-12(17)9-21-11-4-3-10(15)13(14)16-11/h3-4H,2,5-9H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate?
2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate has a molecular weight of 366.18 g/mol, XLogP of 1.96, 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-[(6-bromo-5-fluoro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 167715320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).