5-bromo-3-iodo-1H-indazole - CAS 459133-66-5

Catalog:	BB026013
Product Name:	5-bromo-3-iodo-1H-indazole
CAS:	459133-66-5
Synonyms:	5-bromo-3-iodo-2H-indazole; 5-bromo-3-iodo-2H-indazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-bromo-3-iodo-2H-indazole
Description:	5-bromo-3-iodo-1H-indazole (CAS# 459133-66-5) is a useful research chemical.
Molecular Weight:	322.931
Molecular Formula:	C7H4BrIN2
Canonical SMILES:	C1=CC2=NNC(=C2C=C1Br)I
InChI:	InChI=1S/C7H4BrIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChI Key:	IBFAYUXCRDDBRD-UHFFFAOYSA-N
Boiling Point:	413.1 °C at 760 mmHg
Density:	2.421 g/cm³
MDL:	MFCD07781637
LogP:	2.93000

Publication Number	Title	Priority Date
WO-2021088859-A1	Indazole compound, pharmaceutical composition of same, and applications thereof	20191106
US-2020369656-A1	Inhibitors of camkk2 and uses of same	20190524
US-2019210973-A1	Compounds and methods for treatment of cystic fibrosis	20180105
WO-2019136314-A1	Compounds and methods for treatment of cystic fibrosis	20180105
WO-2018229543-A2	Therapeutic inhibitory compounds	20170614

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	321.86026
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	321.86026
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9