3-Methyl-1H-indazole-6-boronic Acid - CAS 1245816-26-5

Catalog:	BB005921
Product Name:	3-Methyl-1H-indazole-6-boronic Acid
CAS:	1245816-26-5
Synonyms:	(3-methyl-2H-indazol-6-yl)boronic acid; (3-methyl-2H-indazol-6-yl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(3-methyl-2H-indazol-6-yl)boronic acid
Description:	3-Methyl-1H-indazole-6-boronic Acid (CAS# 1245816-26-5) is a useful research chemical.
Molecular Weight:	175.98
Molecular Formula:	C8H9N2O2B
Canonical SMILES:	B(C1=CC2=NNC(=C2C=C1)C)(O)O
InChI:	InChI=1S/C8H9BN2O2/c1-5-7-3-2-6(9(12)13)4-8(7)11-10-5/h2-4,12-13H,1H3,(H,10,11)
InChI Key:	BILMNHWUQJFDED-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD11044596
LogP:	-0.44890

Publication Number	Title	Priority Date
AU-2017296289-A1	2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors	20160712
EP-3484856-A1	2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric shp2 inhibitors	20160712
JP-2019527728-A	2,5-disubstituted 3-methylpyrazine and 2,5,6-trisubstituted 3-methylpyrazine as allosteric SHP2 inhibitors	20160712
KR-20190026893-A	2,5-disubstituted 3-methylpyrazine as an alternate-steric SHP2 inhibitor and 2,5,6-substituted 3-methylpyrazine	20160712
TW-201808931-A	2,5-disubstituted 3-methylpyrazine and 2,5,6-trisubstituted 3-methylpyrazine as ectopic SHP2 inhibitors	20160712

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0