4-Methyl-1H-indazole-5-boronic Acid - CAS 1245816-09-4

Catalog:	BB005914
Product Name:	4-Methyl-1H-indazole-5-boronic Acid
CAS:	1245816-09-4
Synonyms:	(4-methyl-1H-indazol-5-yl)boronic acid; (4-methyl-1H-indazol-5-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-methyl-1H-indazol-5-yl)boronic acid
Description:	4-Methyl-1H-indazole-5-boronic Acid (CAS# 1245816-09-4) is a useful research chemical.
Molecular Weight:	175.98
Molecular Formula:	C8H9N2O2B
Canonical SMILES:	B(C1=C(C2=C(C=C1)NN=C2)C)(O)O
InChI:	InChI=1S/C8H9BN2O2/c1-5-6-4-10-11-8(6)3-2-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChI Key:	IZIRYCSGUBTOOF-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	-0.44890

Publication Number	Title	Priority Date
AU-2015268962-A1	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	20140604
EP-3151833-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	20140604
JP-2017516826-A	MTH1 inhibitors for the treatment of inflammatory and autoimmune diseases	20140604
JP-6635949-B2	MTH1 inhibitors for the treatment of inflammatory and autoimmune diseases	20140604
US-10064869-B2	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	20140604

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Related Functional Groups

Boronic Acids and Esters

[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.0757077
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	176.0757077
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0