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2,6-Diiodo-5-methoxypyridin-3-ol , CAS No.1087659-27-5
Basic Description
Synonyms
MFCD11857637 | AKOS015853831 | FT-0702388 | DTXSID20670143 | 1087659-27-5 | 2,6-Diiodo-5-methoxypyridin-3-ol | 2,6-Diiodo-5-methoxypyridin-3-ol, AldrichCPR
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
Hydroxypyridines Alkyl aryl ethers 2-halopyridines Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - Alkyl aryl ether - Hydroxypyridine - 2-halopyridine - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organopnictogen compound - Organic oxygen 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
2,6-diiodo-5-methoxypyridin-3-ol
INCHI
InChI=1S/C6H5I2NO2/c1-11-4-2-3(10)5(7)9-6(4)8/h2,10H,1H3
InChIKey
CAXKKABEHHHUEV-UHFFFAOYSA-N
Smiles
COC1=C(N=C(C(=C1)O)I)I
Isomeric SMILES
COC1=C(N=C(C(=C1)O)I)I
WGK Germany
3
PubChem CID
45361762
Molecular Weight
376.92
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
376.920 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
376.841 Da
Monoisotopic Mass
376.841 Da
Topological Polar Surface Area
42.400 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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