5-Bromo-6-methyl-1H-indazole - CAS 885223-72-3

Catalog:	BB038907
Product Name:	5-Bromo-6-methyl-1H-indazole
CAS:	885223-72-3
Synonyms:	5-bromo-6-methyl-1H-indazole; 5-bromo-6-methyl-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-6-methyl-1H-indazole
Description:	5-Bromo-6-methyl-1H-indazole (CAS# 885223-72-3) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C8H7BrN2
Canonical SMILES:	CC1=C(C=C2C=NNC2=C1)Br
InChI:	InChI=1S/C8H7BrN2/c1-5-2-8-6(3-7(5)9)4-10-11-8/h2-4H,1H3,(H,10,11)
InChI Key:	UTDBMGRTYFPTEC-UHFFFAOYSA-N
Boiling Point:	344.6 °C at 760 mmHg
Density:	1.654 g/cm³
MDL:	MFCD09026991
LogP:	2.63380

Publication Number	Title	Priority Date
WO-2021125229-A1	Indazole compound or salt thereof, and pharmaceutical composition	20191217
WO-2020191261-A1	Indazoles as lrrk2 inhibitors	20190321
WO-2020081257-A1	Modulators of alpha-1 antitrypsin	20181005
US-2021179587-A1	Modulators of alpha-1 antitrypsin	20181005
BR-112019019555-A2	compound of formula i, pharmaceutical composition, hpk1 inhibition method, method for improving an immune response, method for treating a disorder and use of the compound	20170330

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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:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.97926
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6