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4-Bromo-2-(N-cyclopropylamino)pyridine - 96%, high purity , CAS No.1209458-84-3
Basic Description
Synonyms
4-Bromo-N-cyclopropylpyridin-2-amine | 1209458-84-3 | 4-BROMO-2-(N-CYCLOPROPYLAMINO)PYRIDINE | SCHEMBL16974188 | DTXSID90682475 | MFCD14702596 | AKOS015891999 | MB13804 | BS-25657 | CS-0454233 | A847034
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Aminopyridines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminopyridines and derivatives
Alternative Parents
Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyridine - Imidolactam - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine 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
4-bromo-N-cyclopropylpyridin-2-amine
INCHI
InChI=1S/C8H9BrN2/c9-6-3-4-10-8(5-6)11-7-1-2-7/h3-5,7H,1-2H2,(H,10,11)
InChIKey
ODLZYUOHICTMRF-UHFFFAOYSA-N
Smiles
C1CC1NC2=NC=CC(=C2)Br
Isomeric SMILES
C1CC1NC2=NC=CC(=C2)Br
Molecular Weight
213.1
Reaxy-Rn
28714642
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28714642&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.070 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
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
136.000
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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