1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one

C14H14BrNO2 — CID 54970700

IUPAC1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCOc1cccc(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-11-4-2-7-14(17)16(11)8-9-18-13-6-3-5-12(15)10-13/h2-7,10H,8-9H2,1H3
InChIKeyZVEJFSISCJPRDX-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.00
Rot. Bonds4

About 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one

1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one (PubChem CID 54970700) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
PubChem CID54970700
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCOc1cccc(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-11-4-2-7-14(17)16(11)8-9-18-13-6-3-5-12(15)10-13/h2-7,10H,8-9H2,1H3
InChIKeyZVEJFSISCJPRDX-UHFFFAOYSA-N
XLogP3.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970701
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588
1-[2-(3-bromophenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 55378562
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
1-(2-bromoethyl)-6-methylpyridin-2-one
CID 60876418
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
2-[3-(3-bromophenoxy)propyl]isoindole-1,3-dione
CID 68968338
3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one
CID 103961936
2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103218905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one (CID 54970700) is 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCOc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one?
The InChIKey is ZVEJFSISCJPRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-11-4-2-7-14(17)16(11)8-9-18-13-6-3-5-12(15)10-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one?
1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 54970700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).