2-Bromo-5-methyl-3-nitropyridine - CAS 23056-46-4

Catalog:	BB017891
Product Name:	2-Bromo-5-methyl-3-nitropyridine
CAS:	23056-46-4
Synonyms:	2-bromo-5-methyl-3-nitropyridine; 2-bromo-5-methyl-3-nitropyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-5-methyl-3-nitropyridine
Description:	2-Bromo-5-methyl-3-nitropyridine (CAS# 23056-46-4) is a useful research chemical.
Molecular Weight:	217.02
Molecular Formula:	C6H5BrN2O2
Canonical SMILES:	CC1=CC(=C(N=C1)Br)[N+](=O)[O-]
InChI:	InChI=1S/C6H5BrN2O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3
InChI Key:	AESPBTFGZRRYRJ-UHFFFAOYSA-N
Boiling Point:	276.7 °C at 760 mmHg
Density:	1.709 g/cm³
MDL:	MFCD08703667
LogP:	2.58390

Publication Number	Title	Priority Date
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219
AU-2017208555-A1	New 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors	20160122
CA-3012031-A1	New 6-membered heteroaromatic substituted cyanoindoline derivatives as nik inhibitors	20160122
CN-109311846-A	6 yuan of new heteroaromatic substituted cyanoindole derivatives as NIK inhibitor	20160122
EP-3405464-A1	New 6-membered heteroaromatic substituted cyanoindoline derivatives as nik inhibitors	20160122

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Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95344
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95344
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1