1H-Indazole-5-boronic Acid - CAS 338454-14-1
Catalog: |
BB021861 |
Product Name: |
1H-Indazole-5-boronic Acid |
CAS: |
338454-14-1 |
Synonyms: |
1H-indazol-5-ylboronic acid; 1H-indazol-5-ylboronic acid |
IUPAC Name: | 1H-indazol-5-ylboronic acid |
Description: | Reactant for: Preparation of thieno[3,2-d]pyrimidines as Tpl2 kinase inhibitors; Synthesis of pyridinyl benzonaphthyridinones as mTOR inhibitors for the treatment of cancer; Novel bisphosphonate inhibitors of human farnesyl pyrophosphate synthase; Preparation of diazabicycloheptanes as α7 neurinal nicotinic receptor affectors; Preparation of pyrazolopyrimidinamine derivatives with tyrosine and phosphinositide kinase inhibitory activity. |
Molecular Weight: | 161.95 |
Molecular Formula: | C7H7N2O2B |
Canonical SMILES: | B(C1=CC2=C(C=C1)NN=C2)(O)O |
InChI: | InChI=1S/C7H7BN2O2/c11-8(12)6-1-2-7-5(3-6)4-9-10-7/h1-4,11-12H,(H,9,10) |
InChI Key: | CLVPGJWAMIADSY-UHFFFAOYSA-N |
Boiling Point: | 457.012 °C at 760 mmHg |
Melting Point: | 175-180 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.423 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06739151 |
LogP: | -0.75730 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021125229-A1 | Indazole compound or salt thereof, and pharmaceutical composition | 20191217 |
WO-2021102569-A1 | Cannabinoid derivatives | 20191126 |
WO-2021088787-A1 | Quinazoline compound used as axl inhibitor | 20191107 |
CN-110642880-A | Preparation method of nitrogen unsubstituted pyrazole and indazole boric acid | 20191011 |
US-2021040091-A1 | Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress | 20180301 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.0600576 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.0600576 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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