5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one

C14H14BrNO3 — CID 103524193

IUPAC5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one
SMILESCOc1ccc(-c2c[nH]c(=O)c(C)c2)c(OC)c1Br
InChIInChI=1S/C14H14BrNO3/c1-8-6-9(7-16-14(8)17)10-4-5-11(18-2)12(15)13(10)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyMPMJNUDHBNNIQJ-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.13
Rot. Bonds3

About 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one

5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one (PubChem CID 103524193) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one
PubChem CID103524193
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one
SMILESCOc1ccc(-c2c[nH]c(=O)c(C)c2)c(OC)c1Br
InChIInChI=1S/C14H14BrNO3/c1-8-6-9(7-16-14(8)17)10-4-5-11(18-2)12(15)13(10)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyMPMJNUDHBNNIQJ-UHFFFAOYSA-N
XLogP3.13
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-methoxy-2H-isoquinolin-1-one
CID 82572165
5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde
CID 103523707
4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde
CID 103523706
[3-(3-bromo-2,4-dimethoxyphenyl)-4-methylphenyl]methanamine
CID 103523742
3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one
CID 83129767
5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one
CID 83131231
6,7-dimethoxy-4-methyl-2H-isoquinolin-1-one
CID 167049433
5-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyridin-2-amine
CID 103523655
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
CID 103523681
3-bromo-4-methoxy-1H-pyridin-2-one
CID 119088071
6-(3-bromo-2,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
CID 103524051

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one (CID 103524193) is 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one is COc1ccc(-c2c[nH]c(=O)c(C)c2)c(OC)c1Br.
What is the InChIKey of 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is MPMJNUDHBNNIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-8-6-9(7-16-14(8)17)10-4-5-11(18-2)12(15)13(10)19-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one?
5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 324.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 103524193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).