(2,6-dimethoxy-3-pyridinyl)boronic acid

C7H10BNO4 — CID 2762707

IUPAC(2,6-dimethoxy-3-pyridinyl)boronic acid
SMILESCOc1ccc(B(O)O)c(OC)n1
InChIInChI=1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3
InChIKeyADGHSWFUZUADDH-UHFFFAOYSA-N
MW182.97 g/mol
LogP-1.22
Rot. Bonds3

About (2,6-dimethoxy-3-pyridinyl)boronic acid

(2,6-dimethoxy-3-pyridinyl)boronic acid (PubChem CID 2762707) has the molecular formula C7H10BNO4 and a molecular weight of 182.97 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2,6-dimethoxy-3-pyridinyl)boronic acid
PubChem CID2762707
Molecular FormulaC7H10BNO4
Molecular Weight182.97 g/mol
Exact Mass183.07
IUPAC Name(2,6-dimethoxy-3-pyridinyl)boronic acid
SMILESCOc1ccc(B(O)O)c(OC)n1
InChIInChI=1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3
InChIKeyADGHSWFUZUADDH-UHFFFAOYSA-N
XLogP-1.22
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.97
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,6-dimethoxy-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 (2,6-dimethoxy-3-pyridinyl)boronic acid?
The IUPAC name of (2,6-dimethoxy-3-pyridinyl)boronic acid (CID 2762707) is (2,6-dimethoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (2,6-dimethoxy-3-pyridinyl)boronic acid is COc1ccc(B(O)O)c(OC)n1.
What is the InChIKey of (2,6-dimethoxy-3-pyridinyl)boronic acid?
The InChIKey is ADGHSWFUZUADDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3.
What are the key properties of (2,6-dimethoxy-3-pyridinyl)boronic acid?
(2,6-dimethoxy-3-pyridinyl)boronic acid has a molecular weight of 182.97 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 2762707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).