3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one

C12H9Cl2NO — CID 133092861

IUPAC3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C12H9Cl2NO/c1-7-2-4-9(12(16)15-7)8-3-5-10(13)11(14)6-8/h2-6H,1H3,(H,15,16)
InChIKeySABQGRWYULTLJU-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.66
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one

3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one (PubChem CID 133092861) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one
PubChem CID133092861
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C12H9Cl2NO/c1-7-2-4-9(12(16)15-7)8-3-5-10(13)11(14)6-8/h2-6H,1H3,(H,15,16)
InChIKeySABQGRWYULTLJU-UHFFFAOYSA-N
XLogP3.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091914
4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955503
4-(3,4-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092863
4-(3,4-dichlorophenyl)-6,7-dimethyl-2H-phthalazin-1-one
CID 168887142
1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene
CID 134623247
4-(3,4-dichlorophenyl)-1H-quinolin-2-one
CID 18987231
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499
2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 135480649
5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 169258438
3-(3,4-dichlorophenyl)-5-(3,4-dimethylphenyl)-1-methylpyridin-4-one
CID 12879296
4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133092866

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one (CID 133092861) is 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is SABQGRWYULTLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c1-7-2-4-9(12(16)15-7)8-3-5-10(13)11(14)6-8/h2-6H,1H3,(H,15,16).
What are the key properties of 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 254.12 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 133092861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).