1H-Indazole-5-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H17N2O2B
Molecular Weight
244.10
Description
1H-Indazole-5-boronic Acid Pinacol Ester (CAS# 862723-42-0) is a useful research chemical.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11/h5-8H,1-4H3,(H,15,16)
InChI Key
SAGPUUKLGWNGOS-UHFFFAOYSA-N
Boiling Point
404.123 °C at 760 mmHg
Flash Point
Not applicable
Purity
95 %
Density
1.154 g/cm3
Appearance
White to tan crystalline powder
LogP
1.86210
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
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
244.1383080 g/mol
Monoisotopic Mass
244.1383080 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
319
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 |
|---|---|---|
| CN-113264937-A | 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof | 2021-06-08 |
| WO-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| WO-2021263129-A1 | Kinase inhibitor compounds and compositions and methods of use | 2020-06-26 |
| WO-2021244430-A1 | Compounds and their uses as spleen tyrosine kinase inhibitors | 2020-06-01 |
| WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 2020-03-27 |
| EP-3825322-A1 | Polypeptide compound, pharmaceutical composition, preparation method and application thereof | 2019-11-12 |
| US-2021139537-A1 | Polypeptide compound, pharmaceutical composition, preparation method and application thereof | 2019-11-12 |
| WO-2021093695-A1 | Polypeptide compound, pharmaceutical composition, preparation method and application thereof | 2019-11-12 |
| WO-2021088859-A1 | Indazole compound, pharmaceutical composition of same, and applications thereof | 2019-11-06 |
| CN-114072387-A | Indazole compound and medicinal composition and application thereof | 2019-11-06 |
