1-Methylindazole-3-carboxylic acid - CAS 50890-83-0

Catalog:	BB027247
Product Name:	1-Methylindazole-3-carboxylic acid
CAS:	50890-83-0
Synonyms:	1-methylindazole-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-methylindazole-3-carboxylic acid
Description:	Granisetron Impurity D.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	CN1C2=CC=CC=C2C(=N1)C(=O)O
InChI:	InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13)
InChI Key:	OVVDFORZEGKEJM-UHFFFAOYSA-N
Boiling Point:	383.7 °C at 760 mmHg
Purity:	97.0 %
Density:	1.35 g/cm³
Appearance:	White to off-white to yellow powder
MDL:	MFCD00272569
LogP:	1.27150

Publication Number	Title	Priority Date
WO-2021191359-A1	Monoacylglycerol lipase modulators	20200326
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
CN-113292430-A	Alpha-carbonyl alkenyl ester compound and preparation method and application thereof	20200224
WO-2021169199-A1	Î±-CARBONYL ALKENYL ESTER COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF	20200224
CN-110128347-A	A kind of synthetic method of 1- methyl-1 H- indazole -6- formic acid	20190617

PMID	Publication Date	Title	Journal
22165009	20110901	Development and application of a validated stability-indicating high-performance liquid chromatographic method using photodiode array detection for simultaneous determination of granisetron, methylparaben, propylparaben, sodium benzoate, and their main degradation products in oral pharmaceutical preparations	Journal of AOAC International
20685455	20100630	Development and application of a validated stability-indicating HPLC method for simultaneous determination of granisetron hydrochloride, benzyl alcohol and their main degradation products in parenteral dosage forms	Talanta
21581238	20081108	1-Methyl-1H-indazole-3-carboxylic acid	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
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[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Indazoles

[271-44-3]
Indazole
[4498-67-3]
Indazole-3-carboxylic acid
[13744-68-8]
N1-(6-Indazolyl)sulfanilamide
[1006-28-6]
(1H-Indazol-3-yl)-methyl-amine
[78299-75-9]
5-Benzyloxy-1H-indazole
[66607-27-0]
3-Iodo-1H-indazole

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GHS Hazard Statement:	H302 (86.67%): 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:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4