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5-Bromo-2-(2-hydroxyethoxy)pyridin-3-ol - 95%, high purity , CAS No.1261365-48-3
Basic Description
Synonyms
AKOS015834251 | FT-0766509 | MFCD18374105 | 5-Bromo-2-(2-hydroxyethoxy)pyridin-3-ol | 5-Bromo-2-(2-hydroxyethoxy)pyridin-3-ol, AldrichCPR | 1261365-48-3 | DTXSID90679163
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Hydroxypyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Hydroxypyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Primary alcohol - Organonitrogen compound - Organobromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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
5-bromo-2-(2-hydroxyethoxy)pyridin-3-ol
INCHI
InChI=1S/C7H8BrNO3/c8-5-3-6(11)7(9-4-5)12-2-1-10/h3-4,10-11H,1-2H2
InChIKey
QHIMHBCUJNRUDJ-UHFFFAOYSA-N
Smiles
C1=C(C=NC(=C1O)OCCO)Br
Isomeric SMILES
C1=C(C=NC(=C1O)OCCO)Br
Molecular Weight
234
Reaxy-Rn
39830039
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39830039&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
234.050 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
232.969 Da
Monoisotopic Mass
232.969 Da
Topological Polar Surface Area
62.600 Ų
Heavy Atom Count
12
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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