5-Iodo-1H-indazole - CAS 55919-82-9

Catalog:	BB029218
Product Name:	5-Iodo-1H-indazole
CAS:	55919-82-9
Synonyms:	5-iodo-1H-indazole; 5-iodo-1H-indazole

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Computed Properties

IUPAC Name:	5-iodo-1H-indazole
Description:	5-Iodo-1H-indazole (CAS# 55919-82-9) is a useful research chemical.
Molecular Weight:	244.03
Molecular Formula:	C7H5IN2
Canonical SMILES:	C1=CC2=C(C=C1I)C=NN2
InChI:	InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChI Key:	CGCHCLICSHIAAM-UHFFFAOYSA-N
Boiling Point:	358.187 °C at 760 mmHg
Density:	2.083 g/cm³
MDL:	MFCD07781642
LogP:	2.16750

Publication Number	Title	Priority Date
WO-2021136429-A1	Benzopyrazole compound	20191231
WO-2021088859-A1	Indazole compound, pharmaceutical composition of same, and applications thereof	20191106
US-2020369656-A1	Inhibitors of camkk2 and uses of same	20190524
WO-2020201773-A1	Mettl3 inhibitory compounds	20190405
WO-2019142126-A1	Substituted alkynylene compounds as anticancer agents	20180117

PMID	Publication Date	Title	Journal
19679481	20090901	Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation	Bioorganic & medicinal chemistry
17395463	20070601	4-substituted indazoles as new inhibitors of neuronal nitric oxide synthase	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Indazoles

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[1341035-91-3]
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[253801-04-6]
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[13744-68-8]
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[1956318-62-9]
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[43120-28-1]
Methyl 1H-indazole-3-carboxylate

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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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.94975
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.94975
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4