5-Methyl-3-nitropyridine-2-carbonitrile - CAS 1089330-68-6

Catalog:	BB002362
Product Name:	5-Methyl-3-nitropyridine-2-carbonitrile
CAS:	1089330-68-6
Synonyms:	5-methyl-3-nitro-2-pyridinecarbonitrile; 5-methyl-3-nitropyridine-2-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methyl-3-nitropyridine-2-carbonitrile
Description:	5-Methyl-3-nitropyridine-2-carbonitrile (CAS# 1089330-68-6) is a useful research chemical.
Molecular Weight:	163.13
Molecular Formula:	C7H5N3O2
Canonical SMILES:	CC1=CC(=C(N=C1)C#N)[N+](=O)[O-]
InChI:	InChI=1S/C7H5N3O2/c1-5-2-7(10(11)12)6(3-8)9-4-5/h2,4H,1H3
InChI Key:	CWYBJZBJPJILCJ-UHFFFAOYSA-N
Boiling Point:	378.2 °C at 760 mmHg
Density:	1.34 g/cm³
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD11227179
LogP:	1.69308

Publication Number	Title	Priority Date
WO-2016140501-A1	Pyridine n-oxide for enhancer of zeste homolog 2 inhibitors	20150304
JP-2015209389-A	Method for producing pyridine compound	20140425
WO-2014142273-A1	Dihydropyridazine-3,5-dione derivative	20130313
US-2010204240-A1	Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus	20070921
US-2012277242-A1	Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus	20070921

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Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.038176411
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.038176411
Rotatable Bond Count:	0
Topological Polar Surface Area:	82.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1