6-Methyl-5-nitro-1H-indazole - CAS 81115-43-7

Catalog:	BB036607
Product Name:	6-Methyl-5-nitro-1H-indazole
CAS:	81115-43-7
Synonyms:	6-methyl-5-nitro-1H-indazole; 6-methyl-5-nitro-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	6-methyl-5-nitro-1H-indazole
Description:	6-Methyl-5-nitro-1H-indazole (CAS# 81115-43-7) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C8H7N3O2
Canonical SMILES:	CC1=C(C=C2C=NNC2=C1)[N+](=O)[O-]
InChI:	InChI=1S/C8H7N3O2/c1-5-2-7-6(4-9-10-7)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
InChI Key:	JNIDNZRLKGLAOP-UHFFFAOYSA-N
Boiling Point:	379.7 °C at 760 mmHg
Density:	1.437 g/cm³
MDL:	MFCD03305368
LogP:	2.30270

Publication Number	Title	Priority Date
WO-2021123294-A1	Oga inhibitor compounds	20191218
US-2018201609-A1	Indazole and azaindazole compounds as irak-4 inhibitors	20150715
CN-106458982-A	Indazole compounds as irak4 inhibitors	20140110
US-2016326151-A1	Indazole Compounds as IRAK4 Inhibitors	20140110
US-10023589-B2	Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators	20100713

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Related Functional Groups

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[1000341-72-9]
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GHS Hazard Statement:	H302 (50%): 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:	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:	1.7