1H-Indazole-4-boronic Acid
Product Information
Molecular Formula
C7H7N2O2B
Molecular Weight
161.95
Description
Reactant for: Preparation of trisubstituted pyrimidines as phosphatidylinositol 3-kinase inhibitors; Preparation of bisphosphonate inhibitors of human farnesyl pyrophosphate synthase.
Synonyms
1H-indazol-4-ylboronic acid; 1H-indazol-4-ylboronic acid
IUPAC Name
1H-indazol-4-ylboronic acid
SMILES
B(C1=C2C=NNC2=CC=C1)(O)O
InChI
InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-3-7-5(6)4-9-10-7/h1-4,11-12H,(H,9,10)
InChI Key
BGZZJZIZRARGGZ-UHFFFAOYSA-N
Boiling Point
457.012 °C at 760 mmHg
Melting Point
173-177 °C
Flash Point
Not applicable
Density
1.423 g/cm3
Storage
2-8 °C
LogP
-0.75730
Safety Information
Hazards
H315 - H319 - H335
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
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
162.0600576 g/mol
Monoisotopic Mass
162.0600576 g/mol
Topological Polar Surface Area
69.1Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
168
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-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| WO-2021243421-A1 | Dual kinase-bromodomain inhibitors | 2020-06-05 |
| CN-112920199-A | Piperazinone substituent or derivative thereof, and preparation method, application and pharmaceutical composition thereof | 2020-06-02 |
| WO-2021244346-A1 | Piperazinone substitute or derivative thereof, preparation method therefor and application thereof, and pharmaceutical composition | 2020-06-02 |
| WO-2021127333-A1 | Trpml modulators | 2019-12-19 |
| TW-202136253-A | Trpml modulators | 2019-12-19 |
| WO-2021115335-A1 | Compound as cyclin-dependent kinase 9 inhibitor and use thereof | 2019-12-09 |
| US-2021167321-A1 | Inorganic light emitting diode and inorganic light emitting device including the same | 2019-11-28 |
| CN-110642880-A | Preparation method of nitrogen unsubstituted pyrazole and indazole boric acid | 2019-10-11 |
| CN-110642880-B | Preparation method of nitrogen unsubstituted pyrazole and indazole boric acid | 2019-10-11 |
