2-Methyl-5-nitroindole - CAS 7570-47-0

Catalog:	BB035381
Product Name:	2-Methyl-5-nitroindole
CAS:	7570-47-0
Synonyms:	2-methyl-5-nitro-1H-indole

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Computed Properties

IUPAC Name:	2-methyl-5-nitro-1H-indole
Description:	2-Methyl-5-nitroindole (CAS# 7570-47-0) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	CC1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
InChI:	InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
InChI Key:	IDJGRXQMAHESOD-UHFFFAOYSA-N
Boiling Point:	365.6 °C at 760 mmHg
Density:	1.355 g/cm³
Appearance:	Yellow to orange-brown crystalline powder
MDL:	MFCD00090335
LogP:	2.90770

Publication Number	Title	Priority Date
CN-113248481-A	EZH2 covalent irreversible inhibitor, preparation method and application thereof	20210419
WO-2020150446-A1	Small molecule direct inhibitors of keap1-nrf2 protein-protein interaction	20190118
WO-2020012424-A1	Substituted (aza)indole derivatives	20180713
JP-2019521162-A	Indole derivatives as CRTH2 inhibitors	20160721
CN-105921173-A	Nano-silver composite textile catalyst and application thereof	20160421

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[2642-37-7]
Indoxyl sulfate potassium salt
[20776-45-8]
5-Benzyloxytryptamine
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate
[32996-16-0]
Ethyl indole-5-carboxylate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	214
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:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	0
Topological Polar Surface Area:	61.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9