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3-Bromo-2-(N,N-diethylamino)-5-nitropyridine - 96%, high purity , CAS No.1065074-82-9
Basic Description
Synonyms
3-Bromo-N,N-diethyl-5-nitropyridin-2-amine | 1065074-82-9 | 3-Bromo-2-(N,N-diethylamino)-5-nitropyridine | SCHEMBL17544810 | DTXSID30674531 | MFCD11053789 | AKOS015834049 | AM86269 | BS-23078 | CS-0440669 | N11502 | A895788
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Dialkylarylamines Aminopyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary amine - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Amine - Organohalogen compound - Organic oxide - Organic salt - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
3-bromo-N,N-diethyl-5-nitropyridin-2-amine
INCHI
InChI=1S/C9H12BrN3O2/c1-3-12(4-2)9-8(10)5-7(6-11-9)13(14)15/h5-6H,3-4H2,1-2H3
InChIKey
MZYQAMLTHHDTNN-UHFFFAOYSA-N
Smiles
CCN(CC)C1=C(C=C(C=N1)[N+](=O)[O-])Br
Isomeric SMILES
CCN(CC)C1=C(C=C(C=N1)[N+](=O)[O-])Br
PubChem CID
46738883
Molecular Weight
274.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
274.110 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
273.011 Da
Monoisotopic Mass
273.011 Da
Topological Polar Surface Area
62.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
218.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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