1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one

C14H12BrNO2 — CID 15210283

IUPAC1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c1-10-3-2-4-14(18)16(10)9-13(17)11-5-7-12(15)8-6-11/h2-8H,9H2,1H3
InChIKeyKNLZJDXFIGBPER-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.80
Rot. Bonds3

About 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one

1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one (PubChem CID 15210283) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one
PubChem CID15210283
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c1-10-3-2-4-14(18)16(10)9-13(17)11-5-7-12(15)8-6-11/h2-8H,9H2,1H3
InChIKeyKNLZJDXFIGBPER-UHFFFAOYSA-N
XLogP2.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62025283
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62023817
1-[2-(4-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970701
1-(4-bromophenyl)-2-(2,4-dimethyl-6-sulfanylidene-1-pyridinyl)ethanone
CID 6424216
methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 75366166
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 1040501
1-[2-(4-bromophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017674
3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid
CID 63073572
6-methyl-1-(4-oxopentyl)pyridin-2-one
CID 62023067
4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
CID 60875461
ethyl 3-[2-(4-bromophenyl)-2-oxoethyl]-2-oxo-1,3-thiazole-4-carboxylate
CID 75478831
methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate
CID 67367655

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one (CID 15210283) is 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one?
The InChIKey is KNLZJDXFIGBPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-10-3-2-4-14(18)16(10)9-13(17)11-5-7-12(15)8-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one?
1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one has a molecular weight of 306.16 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 15210283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).