5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C13H20BNO4 — CID 86703229

IUPAC5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCOc1cn(C)c(=O)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H20BNO4/c1-12(2)13(3,4)19-14(18-12)9-7-11(16)15(5)8-10(9)17-6/h7-8H,1-6H3
InChIKeyYSFSMZZBCSVCDS-UHFFFAOYSA-N
MW265.12 g/mol
LogP0.69
Rot. Bonds2

About 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 86703229) has the molecular formula C13H20BNO4 and a molecular weight of 265.12 g/mol. Its IUPAC name is 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID86703229
Molecular FormulaC13H20BNO4
Molecular Weight265.12 g/mol
Exact Mass265.15
IUPAC Name5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCOc1cn(C)c(=O)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H20BNO4/c1-12(2)13(3,4)19-14(18-12)9-7-11(16)15(5)8-10(9)17-6/h7-8H,1-6H3
InChIKeyYSFSMZZBCSVCDS-UHFFFAOYSA-N
XLogP0.69
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 86703229) is 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is COc1cn(C)c(=O)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is YSFSMZZBCSVCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BNO4/c1-12(2)13(3,4)19-14(18-12)9-7-11(16)15(5)8-10(9)17-6/h7-8H,1-6H3.
What are the key properties of 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 265.12 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 86703229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).