2-Methyl-5-nitropyridine - CAS 21203-68-9

Catalog:	BB016684
Product Name:	2-Methyl-5-nitropyridine
CAS:	21203-68-9
Synonyms:	2-methyl-5-nitropyridine; 2-methyl-5-nitropyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methyl-5-nitropyridine
Description:	2-Methyl-5-nitropyridine (CAS# 21203-68-9) is a reagent used in the synthesis and evaluation of p38α kinase-inhibition activity of BIRB 796 analogs which are used in the treatment of autoimmune diseases.
Molecular Weight:	138.12
Molecular Formula:	C6H6N2O2
Canonical SMILES:	CC1=NC=C(C=C1)[N+](=O)[O-]
InChI:	InChI=1S/C6H6N2O2/c1-5-2-3-6(4-7-5)8(9)10/h2-4H,1H3
InChI Key:	USZINSZJSVMICC-UHFFFAOYSA-N
Boiling Point:	237.1 °C at 760 mmHg
Density:	1.246 g/cm³
Appearance:	Yellow crystalline powder
MDL:	MFCD04114179
LogP:	1.82140

Publication Number	Title	Priority Date
WO-2020131574-A1	Method of reducing aromatic nitro compounds	20181218
WO-2020102574-A1	The compounds and compositions for treating conditions associated with nlrp activity	20181116
CN-113227055-A	Compounds and compositions for treating conditions associated with NLRP activity	20181116
EP-3880658-A1	The compounds and compositions for treating conditions associated with nlrp activity	20181116
US-2021163408-A1	Method for preparing a polyfluorinated compound	20180531

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Related Functional Groups

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GHS Hazard Statement:	H302+H312+H332 (93.02%): 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, P403+P233, P405, and P501
Signal Word:	Warning

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