(4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid

C7H10BNO4 — CID 166638622

IUPAC(4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid
SMILESCOc1cc(=O)n(C)cc1B(O)O
InChIInChI=1S/C7H10BNO4/c1-9-4-5(8(11)12)6(13-2)3-7(9)10/h3-4,11-12H,1-2H3
InChIKeySYFLYUMKQNEFAD-UHFFFAOYSA-N
MW182.97 g/mol
LogP-1.93
Rot. Bonds2

About (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid

(4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid (PubChem CID 166638622) has the molecular formula C7H10BNO4 and a molecular weight of 182.97 g/mol. Its IUPAC name is (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid
PubChem CID166638622
Molecular FormulaC7H10BNO4
Molecular Weight182.97 g/mol
Exact Mass183.07
IUPAC Name(4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid
SMILESCOc1cc(=O)n(C)cc1B(O)O
InChIInChI=1S/C7H10BNO4/c1-9-4-5(8(11)12)6(13-2)3-7(9)10/h3-4,11-12H,1-2H3
InChIKeySYFLYUMKQNEFAD-UHFFFAOYSA-N
XLogP-1.93
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.97
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid 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 (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid?
The IUPAC name of (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid (CID 166638622) is (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid.
What is the SMILES notation for (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid?
The canonical SMILES for (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid is COc1cc(=O)n(C)cc1B(O)O.
What is the InChIKey of (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid?
The InChIKey is SYFLYUMKQNEFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO4/c1-9-4-5(8(11)12)6(13-2)3-7(9)10/h3-4,11-12H,1-2H3.
What are the key properties of (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid?
(4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid has a molecular weight of 182.97 g/mol, XLogP of -1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methyl-6-oxo-3-pyridinyl)boronic acid is sourced from PubChem (CID 166638622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).