3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one

C15H16BrNO — CID 82520136

IUPAC3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
SMILESCc1ccc(-c2ccc(CBr)c(=O)n2C)cc1C
InChIInChI=1S/C15H16BrNO/c1-10-4-5-12(8-11(10)2)14-7-6-13(9-16)15(18)17(14)3/h4-8H,9H2,1-3H3
InChIKeyHNEGNRJEOMIXDV-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.56
Rot. Bonds2

About 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one

3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one (PubChem CID 82520136) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
PubChem CID82520136
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
SMILESCc1ccc(-c2ccc(CBr)c(=O)n2C)cc1C
InChIInChI=1S/C15H16BrNO/c1-10-4-5-12(8-11(10)2)14-7-6-13(9-16)15(18)17(14)3/h4-8H,9H2,1-3H3
InChIKeyHNEGNRJEOMIXDV-UHFFFAOYSA-N
XLogP3.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520145
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
CID 82520140
3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520127
3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520130
2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
CID 82517344
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189342
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
CID 82466882
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one (CID 82520136) is 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one is Cc1ccc(-c2ccc(CBr)c(=O)n2C)cc1C.
What is the InChIKey of 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The InChIKey is HNEGNRJEOMIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-4-5-12(8-11(10)2)14-7-6-13(9-16)15(18)17(14)3/h4-8H,9H2,1-3H3.
What are the key properties of 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one has a molecular weight of 306.20 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82520136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).