5-Chloro-1H-indazole - CAS 698-26-0

Catalog:	BB033988
Product Name:	5-Chloro-1H-indazole
CAS:	698-26-0
Synonyms:	5-chloro-1H-indazole; 5-chloro-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-1H-indazole
Description:	5-Chloro-1H-indazole (CAS# 698-26-0) is a useful research chemical.
Molecular Weight:	152.58
Molecular Formula:	C7H5ClN2
Canonical SMILES:	C1=CC2=C(C=C1Cl)C=NN2
InChI:	InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChI Key:	FVNCILPDWNBPLK-UHFFFAOYSA-N
Boiling Point:	309.5 °C at 760 mmHg
Purity:	95 %
Density:	1.425 g/cm³
LogP:	2.21630

Publication Number	Title	Priority Date
US-2020347043-A1	Modulators of the integrated stress pathway	20190430
WO-2020223538-A1	Substituted cycloalkyls as modulators of the integrated stress pathway	20190430
EP-3712162-A1	Smac mimetics used as iap inhibitors and use thereof	20171113
WO-2018229543-A2	Therapeutic inhibitory compounds	20170614
KR-20190066604-A	Compounds and methods for coordinating IDO and TDO, and indications thereof	20160922

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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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.0141259
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8