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6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine - 97%, high purity , CAS No.1219022-46-4
Basic Description
Synonyms
C71819 | 1219022-46-4 | AB76592 | 1,5-Naphthyridine, 6-bromo-1,2,3,4-tetrahydro- | F1957-0099 | SCHEMBL20112301 | AKOS000276535 | DS-18859 | EN300-235213 | MFCD21091457 | SY205096 | 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Naphthyridines
Intermediate Tree Nodes
Not available
Direct Parent
Naphthyridines
Alternative Parents
Secondary alkylarylamines Aralkylamines 2-halopyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthyridine - 2-halopyridine - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
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
6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine
INCHI
InChI=1S/C8H9BrN2/c9-8-4-3-6-7(11-8)2-1-5-10-6/h3-4,10H,1-2,5H2
InChIKey
IDYOBWKVTSMJBF-UHFFFAOYSA-N
Smiles
C1CC2=C(C=CC(=N2)Br)NC1
Isomeric SMILES
C1CC2=C(C=CC(=N2)Br)NC1
Alternate CAS
1219022-46-4
PubChem CID
46397585
Molecular Weight
213.07
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.070 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
211.995 Da
Monoisotopic Mass
211.995 Da
Topological Polar Surface Area
24.900 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
140.000
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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