CAS 848093-29-8|5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde|5-Formylpyridine-3-boronic acid pinacol ester|5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde|5-Formylpy...

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)10-5-9(8-15)6-14-7-10/h5-8H,1-4H3

InChIKey

WVIMCYHOZKNOCS-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cncc(c1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

c1(cncc(c1)B1OC(C(O1)(C)C)(C)C)C=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2634556

LogD (pH = 7.4)

2.263993

Log P

2.264

Molar Refractivity

60.1402

Polarizability

25.000336

Polar Surface Area

48.42

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

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

Synonyms

5-Formylpyridine-3-boronic acid pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinaldehyde5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxaldehyde5-Formylpyridine-3-boronic acid, pinacol ester3-Formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

IUPAC name

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

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number