3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one

C13H11Br2NO2 — CID 118610215

IUPAC3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2c(Br)cc(Br)c(=O)n2C)cc1
InChIInChI=1S/C13H11Br2NO2/c1-16-12(10(14)7-11(15)13(16)17)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3
InChIKeyZKPMSEBRFPMRSR-UHFFFAOYSA-N
MW373.04 g/mol
LogP3.59
Rot. Bonds2

About 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one

3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one (PubChem CID 118610215) has the molecular formula C13H11Br2NO2 and a molecular weight of 373.04 g/mol. Its IUPAC name is 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one
PubChem CID118610215
Molecular FormulaC13H11Br2NO2
Molecular Weight373.04 g/mol
Exact Mass370.92
IUPAC Name3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2c(Br)cc(Br)c(=O)n2C)cc1
InChIInChI=1S/C13H11Br2NO2/c1-16-12(10(14)7-11(15)13(16)17)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3
InChIKeyZKPMSEBRFPMRSR-UHFFFAOYSA-N
XLogP3.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one (CID 118610215) is 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one is COc1ccc(-c2c(Br)cc(Br)c(=O)n2C)cc1.
What is the InChIKey of 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is ZKPMSEBRFPMRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2/c1-16-12(10(14)7-11(15)13(16)17)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3.
What are the key properties of 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one?
3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 373.04 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 118610215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).