CAS 406463-06-7|6-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline|6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline|Quinoline-6-boronic acid, pinacol ester|6-(tetramethyl-1,3,2-dioxaborolan-2-...

Molecular Formula

C₁₅H₁₈BNO₂

Molecular Mass

255.11992

Exact Mass

255.14305922

InChI

InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13/h5-10H,1-4H3

InChIKey

VMFALDWCEQUFSX-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)c1ccc2c(c1)cccn2

Isomeric Smiles

O1B(c2cc3c(nccc3)cc2)OC(C1(C)C)(C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.9797676

LogD (pH = 7.4)

3.9896722

Log P

3.9898

Molar Refractivity

69.6344

Polarizability

30.66732

Polar Surface Area

31.35

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

16217784

IUPAC name

6-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Synonyms

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinolineQuinoline-6-boronic acid, pinacol ester6-Quinolineboronic acid pinacol ester6-Quinolylboronic acid pinacol ester6-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)喹啉6-喹啉硼酸频哪醇酯6-喹啉基硼酸频哪醇酯6-QUINOLINEBORONIC ACID PINACOL ESTER

IUPAC Traditional name

6-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

PubChem SID

CAS Number

MDL Number

PubChem CID

Safety Information

Storage Warning