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1-(3-Bromo-5-methylpyridin-2-yl)piperazine - 96%, high purity , CAS No.1187386-35-1
Basic Description
Synonyms
1-(3-Bromo-5-methylpyridin-2-yl)piperazine | 1187386-35-1 | DTXSID60675298 | MFCD12546612 | AKOS015834404 | BS-22620 | CS-0212459 | A892948
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpiperazines
Alternative Parents
N-arylpiperazines Dialkylarylamines Methylpyridines Aminopyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
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
1-(3-bromo-5-methylpyridin-2-yl)piperazine
INCHI
InChI=1S/C10H14BrN3/c1-8-6-9(11)10(13-7-8)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3
InChIKey
KSLBPFNANUOETD-UHFFFAOYSA-N
Smiles
CC1=CC(=C(N=C1)N2CCNCC2)Br
Isomeric SMILES
CC1=CC(=C(N=C1)N2CCNCC2)Br
PubChem CID
46739710
Molecular Weight
256.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
256.140 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
255.037 Da
Monoisotopic Mass
255.037 Da
Topological Polar Surface Area
28.200 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
182.000
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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