Indazole-3-carboxylic acid - CAS 4498-67-3

Catalog:	BB025743
Product Name:	Indazole-3-carboxylic acid
CAS:	4498-67-3
Synonyms:	1H-indazole-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1H-indazole-3-carboxylic acid
Description:	Indazole-3-carboxylic acid (CAS# 4498-67-3) is an indole derivatives useful in treatment of pain and inflammation.
Molecular Weight:	162.15
Molecular Formula:	C8H6N2O2
Canonical SMILES:	C1=CC=C2C(=C1)C(=NN2)C(=O)O
InChI:	InChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)(H,11,12)
InChI Key:	BHXVYTQDWMQVBI-UHFFFAOYSA-N
Boiling Point:	443.7 °C at 760 mmHg
Purity:	97.0 %
Density:	1.506 g/cm³
MDL:	MFCD00211066
LogP:	1.26110

Publication Number	Title	Priority Date
CN-113046734-A	Bivalent palladium complex solution and preparation method and application thereof	20210312
CN-112979672-A	11, 20-dicarbonyl oridonin 14-O esterified series derivatives and application thereof	20210305
CN-112778203-A	Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine	20210129
CN-112110908-A	1, 3-disubstituted indazole compound and preparation method and application thereof	20200925
CN-111995577-A	Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof	20200909

PMID	Publication Date	Title	Journal
23093288	20121207	Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer	Chemical communications (Cambridge, England)
22189135	20120115	High-affinity fluorescent ligands for the 5-HT(3) receptor	Bioorganic & medicinal chemistry letters
22162199	20120102	Design, synthesis and biological evaluation of Trypanosoma brucei trypanothione synthetase inhibitors	ChemMedChem
21307270	20110501	Adjudin, a potential male contraceptive, exerts its effects locally in the seminiferous epithelium of mammalian testes	Reproduction (Cambridge, England)
21487535	20110215	Stereocomplexes Formed From Select Oligomers of Polymer d-lactic Acid (PDLA) and l-lactate May Inhibit Growth of Cancer Cells and Help Diagnose Aggressive Cancers-Applications of the Warburg Effect	Perspectives in medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Indazoles

[885518-50-3]
4-Amino-6-bromo-1H-indazole
[78299-75-9]
5-Benzyloxy-1H-indazole
[3176-66-7]
7-Methyl-1H-indazole
[37067-95-1]
2-Iodo-1-methyl-1H-imidazole
[5228-51-3]
1-Ethyl-5-nitro-1H-indazole
[1082041-91-5]
4-Chloro-1H-indazole-5-carbonitrile

GHS Hazard Statement:	H302 (33.33%): 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:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.042927438
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	162.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4