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

C13H11Cl2NO — CID 2805344

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C13H11Cl2NO/c1-9-4-3-7-16(13(9)17)8-10-11(14)5-2-6-12(10)15/h2-7H,8H2,1H3
InChIKeyXSWLEFJRSUNIDG-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.51
Rot. Bonds2

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

1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one (PubChem CID 2805344) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one
PubChem CID2805344
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C13H11Cl2NO/c1-9-4-3-7-16(13(9)17)8-10-11(14)5-2-6-12(10)15/h2-7H,8H2,1H3
InChIKeyXSWLEFJRSUNIDG-UHFFFAOYSA-N
XLogP3.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one (CID 2805344) is 1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one is Cc1cccn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one?
The InChIKey is XSWLEFJRSUNIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-9-4-3-7-16(13(9)17)8-10-11(14)5-2-6-12(10)15/h2-7H,8H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one?
1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one has a molecular weight of 268.14 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 2805344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).