6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one

C14H14Cl2N2O — CID 82519096

IUPAC6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1ccc(-c2cc(Cl)ccc2Cl)n(C)c1=O
InChIInChI=1S/C14H14Cl2N2O/c1-17-8-9-3-6-13(18(2)14(9)19)11-7-10(15)4-5-12(11)16/h3-7,17H,8H2,1-2H3
InChIKeyHSDRIZMGNXNQHJ-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.08
Rot. Bonds3

About 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one

6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one (PubChem CID 82519096) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one
PubChem CID82519096
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1ccc(-c2cc(Cl)ccc2Cl)n(C)c1=O
InChIInChI=1S/C14H14Cl2N2O/c1-17-8-9-3-6-13(18(2)14(9)19)11-7-10(15)4-5-12(11)16/h3-7,17H,8H2,1-2H3
InChIKeyHSDRIZMGNXNQHJ-UHFFFAOYSA-N
XLogP3.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one?
The IUPAC name of 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one (CID 82519096) is 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one?
The canonical SMILES for 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one is CNCc1ccc(-c2cc(Cl)ccc2Cl)n(C)c1=O.
What is the InChIKey of 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one?
The InChIKey is HSDRIZMGNXNQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-17-8-9-3-6-13(18(2)14(9)19)11-7-10(15)4-5-12(11)16/h3-7,17H,8H2,1-2H3.
What are the key properties of 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one?
6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one has a molecular weight of 297.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82519096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).