Isoquinoline-5-boronic Acid

Product Information

Molecular Formula:
C9H8NO2B
Molecular Weight:
172.98
Description
Isoquinoline-5-boronic Acid (CAS# 371766-08-4) is a useful research chemical.
Synonyms
5-isoquinolinylboronic acid; isoquinolin-5-ylboronic acid
IUPAC Name
isoquinolin-5-ylboronic acid
Canonical SMILES
B(C1=C2C=CN=CC2=CC=C1)(O)O
InChI
InChI=1S/C9H8BNO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6,12-13H
InChI Key
XKEYHBLSCGBBGU-UHFFFAOYSA-N
Boiling Point
435.6 °C at 760 mmHg
Melting Point
166-188 °C
Purity
≥ 95.0 %
Density
1.28 g/cm3
Appearance
Solid
Storage
2-8 °C
LogP
-0.08540

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
173.0648087 g/mol
Monoisotopic Mass
173.0648087 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
177
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022047347-A1 Protein secretion inhibitors 2020-08-31
CN-113968855-A Compound for treating thrombotic diseases 2020-07-24
WO-2022017531-A1 Compound for treating thrombotic diseases 2020-07-24
WO-2021263278-A1 Rev-erb agonists for the treatment of th17-mediated inflammatory disorders 2020-06-23
WO-2021216757-A1 Rna-binding protein multimerization inhibitors and methods of use thereof 2020-04-21
WO-2021189036-A1 Taf1 inhibitors 2020-03-20
US-2021269434-A1 Tricyclic compounds as inhibitors of kras 2020-01-10
WO-2021142252-A1 Tricyclic compounds as inhibitors of kras 2020-01-10
WO-2021096589-A1 Small molecules polymerase inhibitors 2019-11-15
WO-2021064186-A1 Novel pyridin-2(1h)one derivatives, their preparation and their use for the treatment of pain 2019-10-04

Literatures

PMID Publication Date Title Journal
22272238 2012-01-01 Non inflammatory boronate based glucose-responsive insulin delivery systems PloS one
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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