3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one

C13H12N2O4 — CID 59586699

IUPAC3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cccn(C)c1=O
InChIInChI=1S/C13H12N2O4/c1-14-7-3-4-11(13(14)16)10-6-5-9(15(17)18)8-12(10)19-2/h3-8H,1-2H3
InChIKeyJWJCDTVGBUQMTK-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.97
Rot. Bonds3

About 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one

3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one (PubChem CID 59586699) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one
PubChem CID59586699
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cccn(C)c1=O
InChIInChI=1S/C13H12N2O4/c1-14-7-3-4-11(13(14)16)10-6-5-9(15(17)18)8-12(10)19-2/h3-8H,1-2H3
InChIKeyJWJCDTVGBUQMTK-UHFFFAOYSA-N
XLogP1.97
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one
CID 59410145
2-bromo-5-(2-methoxy-4-nitrophenyl)furan
CID 134092642
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
CID 960532
2-methoxy-4-nitrobenzenethiol
CID 22148741
3-methoxy-4-(3-nitrophenyl)phenol
CID 24767500
ethane;2-methoxy-4-nitrophenol
CID 91188946
N-(2-methoxy-4-nitrophenyl)-9,10-dioxoanthracene-2-sulfonamide
CID 3127937
methyl 2-methoxy-4-nitrobenzoate
CID 10798535

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one (CID 59586699) is 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one is COc1cc([N+](=O)[O-])ccc1-c1cccn(C)c1=O.
What is the InChIKey of 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one?
The InChIKey is JWJCDTVGBUQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-14-7-3-4-11(13(14)16)10-6-5-9(15(17)18)8-12(10)19-2/h3-8H,1-2H3.
What are the key properties of 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one?
3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one has a molecular weight of 260.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 59586699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).