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2,5-Dibromo-4-(hydroxymethyl)pyridine - 97%, high purity , CAS No.1227563-54-3
Basic Description
Synonyms
(2,5-Dibromopyridin-4-yl)methanol | 1227563-54-3 | 2,5-Dibromo-4-(hydroxymethyl)pyridine | (2,5-DIBROMOPYRIDIN-4-YL)METHANOL, | 4-Pyridinemethanol, 2,5-dibromo- | SCHEMBL9013530 | 2,5-Dibromopyridine-4-methanol | DTXSID90598820 | (2,5-Dibromo-4-pyridyl)methanol | AMY25978 |
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
Polyhalopyridines
Alternative Parents
2-halopyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen 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
(2,5-dibromopyridin-4-yl)methanol
INCHI
InChI=1S/C6H5Br2NO/c7-5-2-9-6(8)1-4(5)3-10/h1-2,10H,3H2
InChIKey
AZWYOMUNJRGUNU-UHFFFAOYSA-N
Smiles
C1=C(C(=CN=C1Br)Br)CO
Isomeric SMILES
C1=C(C(=CN=C1Br)Br)CO
Molecular Weight
266.9
Reaxy-Rn
14931338
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14931338&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
266.920 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
266.872 Da
Monoisotopic Mass
264.874 Da
Topological Polar Surface Area
33.100 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
112.000
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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