4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one

C14H13BrFNO2 — CID 155247610

IUPAC4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(Br)ccn(C)c1=O
InChIInChI=1S/C14H13BrFNO2/c1-8-6-10(16)7-9(2)12(8)19-13-11(15)4-5-17(3)14(13)18/h4-7H,1-3H3
InChIKeyALNNYLBZQSWCFG-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.70
Rot. Bonds2

About 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one

4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one (PubChem CID 155247610) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one
PubChem CID155247610
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(Br)ccn(C)c1=O
InChIInChI=1S/C14H13BrFNO2/c1-8-6-10(16)7-9(2)12(8)19-13-11(15)4-5-17(3)14(13)18/h4-7H,1-3H3
InChIKeyALNNYLBZQSWCFG-UHFFFAOYSA-N
XLogP3.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one?
The IUPAC name of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one (CID 155247610) is 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one.
What is the SMILES notation for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one?
The canonical SMILES for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one is Cc1cc(F)cc(C)c1Oc1c(Br)ccn(C)c1=O.
What is the InChIKey of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one?
The InChIKey is ALNNYLBZQSWCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-8-6-10(16)7-9(2)12(8)19-13-11(15)4-5-17(3)14(13)18/h4-7H,1-3H3.
What are the key properties of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one?
4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one has a molecular weight of 326.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one is sourced from PubChem (CID 155247610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).