CAS 1073354-14-9|5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde|6-Formylpyridine-3-boronic acid, pinacol ester|5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinaldehyde|5-(tetra...

General Information

Structure

Molecular Formula

C₁₂H₁₆BNO₃

Molecular Mass

233.07134

Exact Mass

233.12232378

Charge

InChI

InChI=1S/C12H16BNO3/c1-11(2)12(3,4)17-13(16-11)9-5-6-10(8-15)14-7-9/h5-8H,1-4H3

InChIKey

FCWAOWVIYGJOPZ-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc(cn1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O1B(c2ccc(nc2)C=O)OC(C1(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.021492

LogD (pH = 7.4)

3.0217962

Log P

3.0218

Molar Refractivity

59.755

Polarizability

25.005499

Polar Surface Area

48.42

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde

Synonyms

6-Formylpyridine-3-boronic acid, pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinaldehyde5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxaldehyde2-FORMYLPYRIDINE-5-BORONIC ACID PINACOLATE5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinaldehyde

IUPAC name

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number