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

C13H11Cl2NO — CID 1488801

IUPAC3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO/c1-8-9(13(17)5-6-16-8)7-10-11(14)3-2-4-12(10)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyATYBYNDJBFVIJY-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.58
Rot. Bonds2

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

3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one (PubChem CID 1488801) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one
PubChem CID1488801
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO/c1-8-9(13(17)5-6-16-8)7-10-11(14)3-2-4-12(10)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyATYBYNDJBFVIJY-UHFFFAOYSA-N
XLogP3.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one (CID 1488801) is 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one?
The InChIKey is ATYBYNDJBFVIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-8-9(13(17)5-6-16-8)7-10-11(14)3-2-4-12(10)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one?
3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one has a molecular weight of 268.14 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 1488801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).