2-METHYLINDAZOLE-6-BORONICACID
Product Information
Molecular Formula
C8H9BNO2
Description
2-METHYLINDAZOLE-6-BORONICACID is a valuable compound widely used in the biomedical industry. This product is utilized as a key intermediate in the synthesis of potential drugs for treating various diseases including cancer and inflammatory disorders. Its unique boronic acid functionality enables it to participate in diverse chemical reactions, making it an indispensable tool for medicinal chemistry research and drug development.
Synonyms
2-METHYLINDAZOLE-6-BORONICACID; 2-Methyl-2H-indazole-6-boronic acid
IUPAC Name
(2-methylindazol-6-yl)boronic acid
SMILES
B(C1=CC2=NN(C=C2C=C1)C)(O)O
InChI
InChI=1S/C8H9BN2O2/c1-11-5-6-2-3-7(9(12)13)4-8(6)10-11/h2-5,12-13H,1H3
InChI Key
JADBVQWCMHPPQA-UHFFFAOYSA-N
Boiling Point
430.8°C at 760 mmHg
Melting Point
105-110 °C
Flash Point
Not applicable
Purity
95%
Density
1.27 g/cm3
Storage
2-8°C
Safety Information
Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
176.0757077 g/mol
Monoisotopic Mass
176.0757077 g/mol
Topological Polar Surface Area
58.3Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
191
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 |
|---|---|---|
| TW-201800409-A | Heterocyclic compound as an immunomodulator | 2016-06-20 |
| AU-2021250978-A1 | Heterocyclic compounds as immunomodulators | 2016-06-20 |
| AU-2016335043-A1 | Compounds for treatment of cancer and epigenetics | 2015-10-09 |
| CA-3001452-A1 | Compounds for treatment of cancer and epigenetics | 2015-10-09 |
| CN-108419435-A | Compound and epigenetics for treating cancer | 2015-10-09 |
| EP-3371151-A1 | Compounds for treatment of cancer and epigenetics | 2015-10-09 |
| JP-2018534276-A | Compounds for cancer treatment and epigenetics | 2015-10-09 |
| KR-20180061316-A | Compounds for the treatment and prophylactic genetics of cancer | 2015-10-09 |
| US-2019071416-A1 | Compounds for treatment of cancer and epigenetics | 2015-10-09 |
| WO-2017061957-A1 | Compounds for treatment of cancer and epigenetics | 2015-10-09 |
