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3-Bromo-2-pyrrolidinopyridine - 98%, high purity , CAS No.1150561-84-4
Basic Description
Synonyms
3-BROMO-2-(PYRROLIDIN-1-YL)PYRIDINE | 1150561-84-4 | 3-Bromo-2-pyrrolidinopyridine | 3-bromo-2-pyrrolidin-1-ylpyridine | SCHEMBL20406252 | DTXSID10675127 | AWB56184 | MFCD12026111 | AKOS010632417 | AM86338 | Pyridine, 3-bromo-2-(1-pyrrolidinyl)- | BS-19437 | CS-0208012 | EN300-189
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines - Tertiary alkylarylamines
Direct Parent
Dialkylarylamines
Alternative Parents
Aminopyridines and derivatives Imidolactams Aryl bromides Pyrrolidines Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkylarylamine - Aminopyridine - Imidolactam - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrolidine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one 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-2-pyrrolidin-1-ylpyridine
INCHI
InChI=1S/C9H11BrN2/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKey
UKSFRLYYEAXUKE-UHFFFAOYSA-N
Smiles
C1CCN(C1)C2=C(C=CC=N2)Br
Isomeric SMILES
C1CCN(C1)C2=C(C=CC=N2)Br
Molecular Weight
227.1
Reaxy-Rn
33255271
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33255271&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
227.100 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
226.011 Da
Monoisotopic Mass
226.011 Da
Topological Polar Surface Area
16.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
145.000
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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