CAS 1210047-44-1|7-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-b]pyrazine|Pyrido[2,3-b]pyrazine-7-boronic acid, pinacol ester|7-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-b]pyrazine|Pyrido[...

General Information

Structure

Molecular Formula

C₁₃H₁₆BN₃O₂

Molecular Mass

257.09604

Exact Mass

257.13355717

Charge

InChI

InChI=1S/C13H16BN3O2/c1-12(2)13(3,4)19-14(18-12)9-7-10-11(17-8-9)16-6-5-15-10/h5-8H,1-4H3

InChIKey

QLYMAIYXJXENHJ-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)c1cnc2c(c1)nccn2

Isomeric Smiles

B1(c2cc3nccnc3nc2)OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2313998

LogD (pH = 7.4)

2.2314

Log P

2.2314

Molar Refractivity

66.5214

Polarizability

28.164385

Polar Surface Area

57.13

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

7-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-b]pyrazine

Synonyms

Pyrido[2,3-b]pyrazine-7-boronic acid, pinacol ester7-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)吡啶并[2,3-b]吡嗪Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester吡啶并[2,3-b]吡嗪-7-基硼酸频哪醇酯7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-b]pyrazine

IUPAC Traditional name

7-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-b]pyrazine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID