5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one

C9H11BrClNO2 — CID 63663775

IUPAC5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCOCCCl
InChIInChI=1S/C9H11BrClNO2/c10-8-1-2-9(13)12(7-8)4-6-14-5-3-11/h1-2,7H,3-6H2
InChIKeyTUEWFXAAKDVWRI-UHFFFAOYSA-N
MW280.55 g/mol
LogP1.87
Rot. Bonds5

About 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one

5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one (PubChem CID 63663775) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one
PubChem CID63663775
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCOCCCl
InChIInChI=1S/C9H11BrClNO2/c10-8-1-2-9(13)12(7-8)4-6-14-5-3-11/h1-2,7H,3-6H2
InChIKeyTUEWFXAAKDVWRI-UHFFFAOYSA-N
XLogP1.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one (CID 63663775) is 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one is O=c1ccc(Br)cn1CCOCCCl.
What is the InChIKey of 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one?
The InChIKey is TUEWFXAAKDVWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c10-8-1-2-9(13)12(7-8)4-6-14-5-3-11/h1-2,7H,3-6H2.
What are the key properties of 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one?
5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one has a molecular weight of 280.55 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 63663775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).