5-Bromo-1H-indazole - CAS 53857-57-1

Catalog:	BB028374
Product Name:	5-Bromo-1H-indazole
CAS:	53857-57-1
Synonyms:	5-bromo-1H-indazole; 5-bromo-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1H-indazole
Description:	5-Bromo-1H-indazole (CAS# 53857-57-1) is a useful research chemical.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC2=C(C=C1Br)C=NN2
InChI:	InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChI Key:	STVHMYNPQCLUNJ-UHFFFAOYSA-N
Boiling Point:	333.8 °C at 760 mmHg
Density:	1.77 g/cm³
MDL:	MFCD00839493
LogP:	2.32540

Publication Number	Title	Priority Date
CN-111995577-A	Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof	20200909
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
CN-111303118-A	Compounds and their use in the treatment of hepatitis B	20200217
WO-2021120890-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2021124222-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220

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
11354365	20010507	Inhibition of neuronal nitric oxide synthase by 7-methoxyindazole and related substituted indazoles	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Indazoles

[885278-74-0]
Ethyl 1H-Indazole-7-carboxylate
[1341035-91-3]
Ethyl 3-iodo-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
[253801-04-6]
Indazole-5-carboxaldehyde
[13744-68-8]
N1-(6-Indazolyl)sulfanilamide
[1082041-85-7]
5-Bromo-4-fluoro-1H-indazole
[43120-28-1]
Methyl 1H-indazole-3-carboxylate

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GHS Hazard Statement:	H302 (93.18%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, 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