3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one

C14H14BrNO2 — CID 158562062

IUPAC3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2ccc(Br)c(=O)n2C)c(C)c1
InChIInChI=1S/C14H14BrNO2/c1-9-8-10(18-3)4-5-11(9)13-7-6-12(15)14(17)16(13)2/h4-8H,1-3H3
InChIKeyOMGUKUTZVYSCPJ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.13
Rot. Bonds2

About 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one

3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one (PubChem CID 158562062) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
PubChem CID158562062
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2ccc(Br)c(=O)n2C)c(C)c1
InChIInChI=1S/C14H14BrNO2/c1-9-8-10(18-3)4-5-11(9)13-7-6-12(15)14(17)16(13)2/h4-8H,1-3H3
InChIKeyOMGUKUTZVYSCPJ-UHFFFAOYSA-N
XLogP3.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one (CID 158562062) is 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one is COc1ccc(-c2ccc(Br)c(=O)n2C)c(C)c1.
What is the InChIKey of 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one?
The InChIKey is OMGUKUTZVYSCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9-8-10(18-3)4-5-11(9)13-7-6-12(15)14(17)16(13)2/h4-8H,1-3H3.
What are the key properties of 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one?
3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 158562062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).