6-Bromo-1H-indazole - CAS 79762-54-2

Catalog:	BB036407
Product Name:	6-Bromo-1H-indazole
CAS:	79762-54-2
Synonyms:	6-bromo-1H-indazole; 6-bromo-1H-indazole

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Computed Properties

IUPAC Name:	6-bromo-1H-indazole
Description:	6-Bromo-1H-indazole (CAS# 79762-54-2) is an indazole derivative being studied as an inhibitor of DNA gyrase B and its antibacterial activity.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC2=C(C=C1Br)NN=C2
InChI:	InChI=1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChI Key:	WMKDUJVLNZANRN-UHFFFAOYSA-N
Boiling Point:	470.932 °C at 760 mmHg
Density:	1.838 g/cm³
MDL:	MFCD03265457
LogP:	2.32540

Publication Number	Title	Priority Date
CN-113307773-A	6-bromo-3-methoxy-1-phenyl-1H-indazole and synthetic method and application thereof	20210617
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
WO-2021127586-A1	Protein tyrosine phosphatase degraders and methods of use thereof	20191220
US-2021171455-A1	Alpha-5 beta-1 inhibitors	20191210
WO-2021119199-A1	Alpha-5 beta-1 inhibitors	20191210

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

[1341035-91-3]
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[1082041-85-7]
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[1260381-83-6]
5-Bromo-7-fluoro-1H-indazole
[885518-50-3]
4-Amino-6-bromo-1H-indazole
[78299-75-9]
5-Benzyloxy-1H-indazole
[1082041-90-4]
5-Bromo-4-chloro-1H-indazole

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GHS Hazard Statement:	H302 (87.23%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.96361
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9