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

C13H13NO3 — CID 53229468

IUPAC2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one
SMILESCOc1ccc(-c2cc(=O)cc[nH]2)cc1OC
InChIInChI=1S/C13H13NO3/c1-16-12-4-3-9(7-13(12)17-2)11-8-10(15)5-6-14-11/h3-8H,1-2H3,(H,14,15)
InChIKeyPJNDYGBJDZPXOJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.06
Rot. Bonds3

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

2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one (PubChem CID 53229468) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one
PubChem CID53229468
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one
SMILESCOc1ccc(-c2cc(=O)cc[nH]2)cc1OC
InChIInChI=1S/C13H13NO3/c1-16-12-4-3-9(7-13(12)17-2)11-8-10(15)5-6-14-11/h3-8H,1-2H3,(H,14,15)
InChIKeyPJNDYGBJDZPXOJ-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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Related Compounds

6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
CID 106514360
4-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyridin-2-one
CID 56927226
2-(4-methylsulfanylphenyl)-1H-pyridin-4-one
CID 53229354
2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one
CID 106513916
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one
CID 56927265
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 53229611
2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785125
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one
CID 16765792

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one (CID 53229468) is 2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one is COc1ccc(-c2cc(=O)cc[nH]2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one?
The InChIKey is PJNDYGBJDZPXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-12-4-3-9(7-13(12)17-2)11-8-10(15)5-6-14-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one?
2-(3,4-dimethoxyphenyl)-1H-pyridin-4-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 2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one is sourced from PubChem (CID 53229468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).