1-Methyl-1H-indazole-6-boronic Acid
Product Information
Molecular Formula
C8H9N2O2B
Molecular Weight
175.98
Description
1-Methyl-1H-indazole-6-boronic Acid (CAS# 1150114-80-9) is a useful research chemical.
Synonyms
(1-methyl-6-indazolyl)boronic acid; (1-methylindazol-6-yl)boronic acid
IUPAC Name
(1-methylindazol-6-yl)boronic acid
SMILES
B(C1=CC2=C(C=C1)C=NN2C)(O)O
InChI
InChI=1S/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3
InChI Key
OMVQAWCHQBKZCF-UHFFFAOYSA-N
Boiling Point
397.5 °C at 760 mmHg
Melting Point
277-283 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.27 g/cm3
Appearance
Solid
Storage
2-8 °C
LogP
-0.74690
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
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 |
|---|---|---|
| WO-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| WO-2021216757-A1 | Rna-binding protein multimerization inhibitors and methods of use thereof | 2020-04-21 |
| WO-2021152149-A1 | Ras inhibitors and methods of using the same | 2020-01-31 |
| JP-2020193176-A | New biaryl derivatives and their pharmaceutical applications | 2019-05-30 |
| JP-2019182784-A | Dihydropyrazolopyrazinone derivatives | 2018-04-10 |
| KR-20190113598-A | 2-cyanopyrimidin-4-yl carbamate or urea derivative or its salt and pharmaceutical composition comprising the same | 2018-03-28 |
| WO-2019190117-A1 | 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same | 2018-03-28 |
| AU-2019243099-A1 | 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same | 2018-03-28 |
| CA-3093546-A1 | 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same | 2018-03-28 |
| EP-3778576-A1 | 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same | 2018-03-28 |
