5-Iodoindolin-2-one - CAS 193354-13-1

Catalog:	BB014949
Product Name:	5-Iodoindolin-2-one
CAS:	193354-13-1
Synonyms:	5-iodo-1,3-dihydroindol-2-one; 5-iodo-1,3-dihydroindol-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-iodo-1,3-dihydroindol-2-one
Description:	5-Iodoindolin-2-one (CAS# 193354-13-1) is a useful research chemical.
Molecular Weight:	259.04
Molecular Formula:	C8H6INO
Canonical SMILES:	C1C2=C(C=CC(=C2)I)NC1=O
InChI:	InChI=1S/C8H6INO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChI Key:	FAIHEVFTQPMOLE-UHFFFAOYSA-N
LogP:	1.92380

Publication Number	Title	Priority Date
WO-2020259683-A1	2,4-disubstituted pyrimidine derivative, preparation method for same, and uses thereof	20190628
EP-3611174-A1	[1,2,4]triazolo[1,5-c]pyrimidine derivative as a2a receptor inhibitor	20170407
WO-2018080918-A1	3-aryl-2h-pyrazolo[4,3-b]pyridine compounds and their use as ampa receptor modulators	20161026
EP-3288945-B1	Imidazopyrazines and pyrazolopyrimidines and their use as ampa receptor modulators	20150429
EP-3288940-B1	Azabenzimidazoles and their use as ampa receptor modulators	20150429

PMID	Publication Date	Title	Journal
22444679	20120415	Radioiodinated sunitinib as a potential radiotracer for imaging angiogenesis-radiosynthesis and first radiopharmacological evaluation of 5-[125I]Iodo-sunitinib	Bioorganic & medicinal chemistry letters
18796721	20081001	Characterization of pharmacologically active compounds that inhibit poliovirus and enterovirus 71 infectivity	The Journal of general virology

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.94941
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	258.94941
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8