2-Methyl-3-nitropyridine - CAS 18699-87-1

Name: 2-Methyl-3-nitropyridine
Brand: BOC Sciences
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Catalog:	BB014386
Product Name:	2-Methyl-3-nitropyridine
CAS:	18699-87-1
Synonyms:	2-methyl-3-nitropyridine; 2-methyl-3-nitropyridine

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-3-nitropyridine
Description:	2-Methyl-3-nitropyridine (CAS# 18699-87-1) is used as a starting reagent to synthesize 3-substituted-4 or 6-azaindoles, and is also used as a reagent to prepare 3-azaindolyl-4-arylmalemides (compounds that exhibit antiproliferative activity).
Molecular Weight:	138.12
Molecular Formula:	C6H6N2O2
Canonical SMILES:	CC1=C(C=CC=N1)[N+](=O)[O-]
InChI:	InChI=1S/C6H6N2O2/c1-5-6(8(9)10)3-2-4-7-5/h2-4H,1H3
InChI Key:	CCFGTKQIRWHYTB-UHFFFAOYSA-N
Boiling Point:	213.8 °C at 760 mmHg
Density:	1.246 g/cm³
MDL:	MFCD04114137
LogP:	1.82140

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Related Functional Groups

Pyridines

[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[2122800-15-9]C16H19N2D
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[7356-60-7]C6H8ClN3
3-Amidinopyridine Hydrochloride

GHS Hazard Statement:	H302+H332 (33.33%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-108003029-A	A kind of method for preparing nitro compound using graphene catalysis nitric oxide	20171123
CN-108003029-B	Method for preparing nitro compound by catalyzing nitric oxide with graphene	20171123
CN-110214136-A	Pyrazole derivatives as MALT1 inhibitor	20161221
CN-109923111-A	Antibiotic compound	20160822
JP-2019528291-A	Antibiotic compounds	20160822

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.042927438
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.042927438
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1