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5-Amino-3-iodo-1H-indazole

5-Amino-3-iodo-1H-indazole - CAS 599183-36-5

Catalog:	BB030556
Product Name:	5-Amino-3-iodo-1H-indazole
CAS:	599183-36-5
Synonyms:	3-iodo-2H-indazol-5-amine; 3-iodo-2H-indazol-5-amine

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-iodo-2H-indazol-5-amine
Description:	5-Amino-3-iodo-1H-indazole (CAS# 599183-36-5) is a useful research chemical.
Molecular Weight:	259.05
Molecular Formula:	C7H6IN3
Canonical SMILES:	C1=CC2=NNC(=C2C=C1N)I
InChI:	InChI=1S/C7H6IN3/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,9H2,(H,10,11)
InChI Key:	HORRIHWEYDDYST-UHFFFAOYSA-N
MDL:	MFCD07781656
LogP:	2.33090

Publication Number	Title	Priority Date
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306
WO-2021093795-A1	Rock inhibitor, preparation method therefor and use thereof	20191115
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20190711
US-2014005167-A1	Kinase inhibitors and method of treating cancer with same	20120622
US-8980934-B2	Kinase inhibitors and method of treating cancer with same	20120622

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.96064
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	258.96064
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6