3-Methyl-6-nitro-1H-indazole - CAS 6494-19-5

Catalog:	BB032593
Product Name:	3-Methyl-6-nitro-1H-indazole
CAS:	6494-19-5
Synonyms:	3-methyl-6-nitro-2H-indazole; 3-methyl-6-nitro-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	3-methyl-6-nitro-2H-indazole
Description:	3-Methyl-6-nitroindazole a reactant used in the preparation of Pazopanib (P210925), an oral angiogenesis inhibitor targeting VEGFR and PDGFR.
Molecular Weight:	177.16
Molecular Formula:	C8H7N3O2
Canonical SMILES:	CC1=C2C=CC(=CC2=NN1)[N+](=O)[O-]
InChI:	InChI=1S/C8H7N3O2/c1-5-7-3-2-6(11(12)13)4-8(7)10-9-5/h2-4H,1H3,(H,9,10)
InChI Key:	FUNWSYKLFDLUIZ-UHFFFAOYSA-N
Boiling Point:	225.226 °C at 760 mmHg
Density:	1.437 g/cm³
MDL:	MFCD07082704
LogP:	2.30270

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021162647-A1	A novel process for preparation of pazopanib hydrochloride	20200210
WO-2021028643-A1	Heterocyclic compounds for use in the treatment of cancer	20190809
CN-110028495-A	The environment-friendly preparation method thereof of pazopanib hydrochloride	20190524

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Related Functional Groups

Indazoles

[271-44-3]
Indazole
[4498-67-3]
Indazole-3-carboxylic acid
[253801-04-6]
Indazole-5-carboxaldehyde
[1082041-85-7]
5-Bromo-4-fluoro-1H-indazole
[1260381-83-6]
5-Bromo-7-fluoro-1H-indazole
[885518-50-3]
4-Amino-6-bromo-1H-indazole

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.053826475
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.053826475
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8