CAS 850567-47-4|1-Methyl-1H-pyrrole-2-boronic acid, pinacol ester 97%|1-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole|1-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole|1-me...

General Information

Structure

Molecular Formula

C₁₁H₁₈BNO₂

Molecular Mass

207.07712

Exact Mass

207.14305922

Charge

InChI

InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-6-8-13(9)5/h6-8H,1-5H3

InChIKey

OEQQEXKRORJZPR-UHFFFAOYSA-N

Canonic Smiles

Cn1cccc1B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

n1(C)cccc1B1OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0964

LogD (pH = 7.4)

3.0964

Log P

3.0964

Molar Refractivity

54.6219

Polarizability

23.472332

Polar Surface Area

23.39

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-Methyl-1H-pyrrole-2-boronic acid, pinacol ester 97%1-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole1-Methylpyrrole-2-boronic acid pinacol ester1-Methyl-2-pyrroleboronic acid pinacol esterN-METHYLPYRROLE-2-BORONIC ACID, PINACOL ESTER1-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole1-甲基-2-吡咯硼酸频哪醇酯1-甲基吡咯-2-硼酸频哪醇酯1-甲基吡咯-2-硼酸频哪醇酯1-Methylpyrrole-2-boronic acid pinacol ester

IUPAC Traditional name

1-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole

IUPAC name

1-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole

Names and Identifiers

Registration numbers

PubChem SID

162040661

PubChem CID

44118773

CAS Number

850567-47-4