5-Bromo-N-methyl-3-nitropyridin-2-amine - CAS 70232-59-6

Catalog:	BB034108
Product Name:	5-Bromo-N-methyl-3-nitropyridin-2-amine
CAS:	70232-59-6
Synonyms:	5-bromo-N-methyl-3-nitropyridin-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-N-methyl-3-nitropyridin-2-amine
Description:	5-Bromo-N-methyl-3-nitropyridin-2-amine (CAS# 70232-59-6) is a useful research chemical.
Molecular Weight:	232.03
Molecular Formula:	C6H6BrN3O2
Canonical SMILES:	CNC1=NC=C(C=C1[N+](=O)[O-])Br
InChI:	InChI=1S/C6H6BrN3O2/c1-8-6-5(10(11)12)2-4(7)3-9-6/h2-3H,1H3,(H,8,9)
InChI Key:	KOPIJZGJPUGTHU-UHFFFAOYSA-N
Purity:	98 %
LogP:	2.39020

Publication Number	Title	Priority Date
AU-2017340602-A1	Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GluN2B receptor modulators	20161006
CA-3038820-A1	Substituted 1h-imidazo[4,5-b]pyridin-2(3h)-ones and their use as glun2b receptor modulators	20161006
CN-110062761-A	Substituted 1H- imidazo [4,5-b] pyridine -2 (3H) -one and its purposes as GLUN2B receptor modulators	20161006
EP-3523311-A1	Substituted 1h-imidazo[4,5-b]pyridin-2(3h)-ones and their use as glun2b receptor modulators	20161006
JP-2019530695-A	Substituted 1H-imidazo [4,5-b] pyridin-2 (3H) -ones and their use as GLUN2B receptor modulators	20161006

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Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.96434
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.96434
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2