4-Iodo-1H-indazole - CAS 885522-11-2

Catalog:	BB038996
Product Name:	4-Iodo-1H-indazole
CAS:	885522-11-2
Synonyms:	4-iodo-1H-indazole

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-iodo-1H-indazole
Description:	4-Iodo-1H-indazole (CAS# 885522-11-2) is a useful research chemical.
Molecular Weight:	244.03
Molecular Formula:	C7H5IN2
Canonical SMILES:	C1=CC2=C(C=NN2)C(=C1)I
InChI:	InChI=1S/C7H5IN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChI Key:	CJQXSPSUIGJNJX-UHFFFAOYSA-N
Boiling Point:	358.187 °C at 760 mmHg
Density:	2.083 g/cm³
LogP:	2.16750

Publication Number	Title	Priority Date
WO-2021055747-A1	Therapeutic conjugates	20190919
WO-2020011246-A1	Benzene ring-containing compound, preparation method therefor and application thereof	20180713
WO-2019191227-A1	Methods of reducing inflammation of the digestive system with inhibitors of hif-2-alpha	20180328
EP-3733670-A1	Tetrahydropyrrole compound, preparation method therefor, pharmaceutical composition containing same, and use thereof	20171226
WO-2019062802-A1	ISOXAZOLINE DERIVATIVES AND USES THEREOF IN AN AGRICULTURAL APPLICATION	20170928

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

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Indazoles

[1341035-91-3]
Ethyl 3-iodo-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
[290368-00-2]
1-Boc-3-iodo-1H-indazole
[353457-63-3]
4-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)aniline
[1000341-72-9]
7-Bromo-4-fluoro-1H-indazole
[1305320-59-5]
1-Boc-7-fluoro-1H-indazole
[5228-51-3]
1-Ethyl-5-nitro-1H-indazole

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:	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:	2.2