1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one

C14H14BrNO2 — CID 54970751

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one
SMILESCOc1ccc(Cn2c(C)cccc2=O)cc1Br
InChIInChI=1S/C14H14BrNO2/c1-10-4-3-5-14(17)16(10)9-11-6-7-13(18-2)12(15)8-11/h3-8H,9H2,1-2H3
InChIKeyWFMLJQCASBSNMG-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.98
Rot. Bonds3

About 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one

1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one (PubChem CID 54970751) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one
PubChem CID54970751
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one
SMILESCOc1ccc(Cn2c(C)cccc2=O)cc1Br
InChIInChI=1S/C14H14BrNO2/c1-10-4-3-5-14(17)16(10)9-11-6-7-13(18-2)12(15)8-11/h3-8H,9H2,1-2H3
InChIKeyWFMLJQCASBSNMG-UHFFFAOYSA-N
XLogP2.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072990
3-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 54970847
1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one
CID 62019127
1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one
CID 9353521
1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-4-one
CID 55127426
1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine
CID 1067931
2-[(3-bromo-4-methoxyphenyl)methyl]-5-iodopyridazin-3-one
CID 114553704
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60673927
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8627201
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrrol-4-ylium-5-one
CID 123586033

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one (CID 54970751) is 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one is COc1ccc(Cn2c(C)cccc2=O)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The InChIKey is WFMLJQCASBSNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-4-3-5-14(17)16(10)9-11-6-7-13(18-2)12(15)8-11/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one?
1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 54970751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).