1H-Indazole-5-boronic Acid - CAS 338454-14-1

Name: 1H-Indazole-5-boronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021861
Product Name:	1H-Indazole-5-boronic Acid
CAS:	338454-14-1
Synonyms:	1H-indazol-5-ylboronic acid; 1H-indazol-5-ylboronic acid

Technical Data

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