5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one

C14H13BrFNO3 — CID 75437289

IUPAC5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one
SMILESCOc1cc(=O)n(CCOc2ccccc2F)cc1Br
InChIInChI=1S/C14H13BrFNO3/c1-19-13-8-14(18)17(9-10(13)15)6-7-20-12-5-3-2-4-11(12)16/h2-5,8-9H,6-7H2,1H3
InChIKeyQZQWVWWUIKTLOV-UHFFFAOYSA-N
MW342.16 g/mol
LogP2.84
Rot. Bonds5

About 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one

5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one (PubChem CID 75437289) has the molecular formula C14H13BrFNO3 and a molecular weight of 342.16 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one
PubChem CID75437289
Molecular FormulaC14H13BrFNO3
Molecular Weight342.16 g/mol
Exact Mass341.01
IUPAC Name5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one
SMILESCOc1cc(=O)n(CCOc2ccccc2F)cc1Br
InChIInChI=1S/C14H13BrFNO3/c1-19-13-8-14(18)17(9-10(13)15)6-7-20-12-5-3-2-4-11(12)16/h2-5,8-9H,6-7H2,1H3
InChIKeyQZQWVWWUIKTLOV-UHFFFAOYSA-N
XLogP2.84
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one (CID 75437289) is 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one is COc1cc(=O)n(CCOc2ccccc2F)cc1Br.
What is the InChIKey of 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one?
The InChIKey is QZQWVWWUIKTLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3/c1-19-13-8-14(18)17(9-10(13)15)6-7-20-12-5-3-2-4-11(12)16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one?
5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one has a molecular weight of 342.16 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2-fluorophenoxy)ethyl]-4-methoxypyridin-2-one is sourced from PubChem (CID 75437289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).