6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one

C13H13NO3 — CID 53217944

IUPAC6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cccc(=O)[nH]2)c(OC)c1
InChIInChI=1S/C13H13NO3/c1-16-9-6-7-10(12(8-9)17-2)11-4-3-5-13(15)14-11/h3-8H,1-2H3,(H,14,15)
InChIKeyAZDUPJLMNLPXTD-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.06
Rot. Bonds3

About 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one

6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one (PubChem CID 53217944) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
PubChem CID53217944
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cccc(=O)[nH]2)c(OC)c1
InChIInChI=1S/C13H13NO3/c1-16-9-6-7-10(12(8-9)17-2)11-4-3-5-13(15)14-11/h3-8H,1-2H3,(H,14,15)
InChIKeyAZDUPJLMNLPXTD-UHFFFAOYSA-N
XLogP2.06
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one (CID 53217944) is 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one is COc1ccc(-c2cccc(=O)[nH]2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is AZDUPJLMNLPXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-9-6-7-10(12(8-9)17-2)11-4-3-5-13(15)14-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 53217944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).