3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one

C15H13Cl2NO2 — CID 93213282

IUPAC3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C15H13Cl2NO2/c1-9-6-7-11(10(2)19)15(20)18(9)8-12-13(16)4-3-5-14(12)17/h3-7H,8H2,1-2H3
InChIKeyCULZEAKPDFKYDR-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.71
Rot. Bonds3

About 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one

3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one (PubChem CID 93213282) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one
PubChem CID93213282
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C15H13Cl2NO2/c1-9-6-7-11(10(2)19)15(20)18(9)8-12-13(16)4-3-5-14(12)17/h3-7H,8H2,1-2H3
InChIKeyCULZEAKPDFKYDR-UHFFFAOYSA-N
XLogP3.71
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one
CID 82151492
4-[(3-acetyl-6-methyl-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82064795
3-acetyl-6-methyl-1-nonylpyridin-2-one
CID 82064801
3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one
CID 93213290
3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one
CID 82144130
1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073648
3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one
CID 82064779
1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 103047010
1-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 62727450
ethyl 3-[(2,6-dichlorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate
CID 1484093
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 82064697
1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62876195

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one (CID 93213282) is 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one is CC(=O)c1ccc(C)n(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one?
The InChIKey is CULZEAKPDFKYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9-6-7-11(10(2)19)15(20)18(9)8-12-13(16)4-3-5-14(12)17/h3-7H,8H2,1-2H3.
What are the key properties of 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one?
3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one has a molecular weight of 310.18 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 93213282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).