1-(3,4-dimethoxyphenyl)pyridin-2-one

C13H13NO3 — CID 67869656

IUPAC1-(3,4-dimethoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-n2ccccc2=O)cc1OC
InChIInChI=1S/C13H13NO3/c1-16-11-7-6-10(9-12(11)17-2)14-8-4-3-5-13(14)15/h3-9H,1-2H3
InChIKeyQSDZDHITHCIXAJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.85
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)pyridin-2-one

1-(3,4-dimethoxyphenyl)pyridin-2-one (PubChem CID 67869656) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)pyridin-2-one
PubChem CID67869656
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(3,4-dimethoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-n2ccccc2=O)cc1OC
InChIInChI=1S/C13H13NO3/c1-16-11-7-6-10(9-12(11)17-2)14-8-4-3-5-13(14)15/h3-9H,1-2H3
InChIKeyQSDZDHITHCIXAJ-UHFFFAOYSA-N
XLogP1.85
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)pyridin-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)pyridin-2-one (CID 67869656) is 1-(3,4-dimethoxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)pyridin-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)pyridin-2-one is COc1ccc(-n2ccccc2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)pyridin-2-one?
The InChIKey is QSDZDHITHCIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-11-7-6-10(9-12(11)17-2)14-8-4-3-5-13(14)15/h3-9H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)pyridin-2-one?
1-(3,4-dimethoxyphenyl)pyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)pyridin-2-one is sourced from PubChem (CID 67869656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).