2-Bromo-4-nitropyridine 1-oxide CAS NO.52092-43-0

1. Introduction of2-Bromo-4-nitropyridine 1-oxide

The 2-Bromo-4-nitropyridine 1-oxide, with its C…

1. Introduction of 2-Bromo-4-nitropyridine 1-oxide

 

The 2-Bromo-4-nitropyridine 1-oxide, with its CAS NO 52092-43-0, is a kind of white powder. It has synonyms of 2-Bromo-4-nitropyridine-n-oxide;2-Bromo-4-nitropyridine 1-oxide; 2-Bromo-4-nitropyridine N-oxide;2-Bromo-4-nitropyridine N-oxide and 6-bromo-4-nitro-6H-pyridine 1-oxide. 2-Bromo-4-nitropyridine 1-oxide should be stored in shady and cool warehouse.
 

2. Properties of 2-Bromo-4-nitropyridine 1-oxide

 

(1) XLogP3-AA 0.7   (2) H-Bond Acceptor 3  (3) Exact Mass 217.932704
(4) MonoIsotopic Mass 217.932704 (5) Topological Polar Surface Area 71.3 (6) Heavy Atom Count 11
(7) Complexity 160 (8) Covalently-Bonded Unit Count 1 (9) Feature 3D Acceptor Count 2
(10) Feature 3D Anion Count 2  (11) Feature 3D Hydrophobe Count 1 (12) Feature 3D Ring Count 1
(13) Effective Rotor Count 1  (14) Conformer Sampling RMSD 0.4  (15)CID Conformer Count 1
 

3. Structure descriptors of 2-Bromo-4-nitropyridine 1-oxide

 

IUPAC Name: 2-bromo-4-nitro-1-oxidopyridin-1-ium

InChI: InChI=1S/C5H3BrN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H

InChIKey: IRBDHXCXCSFNEQ-UHFFFAOYSA-N

Canonical SMILES : C1=C[N+](=C(C=C1[N+](=O)[O-])Br)[O-]