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3-bromo-6-iodo-2-methyl-pyridine - 97%, high purity , CAS No.1008361-77-0
Basic Description
Synonyms
AKOS015891912 | SY260018 | NCGLRIMMNYDKIO-UHFFFAOYSA-N | DTXSID30693282 | 3-Bromo-6-iodo-2-methylpyridine | 3-Bromo-6-iodo-2-methyl-pyridine | MFCD11227150 | SCHEMBL1767254 | MB09866 | 1008361-77-0 | FT-0719490 | I11220 | Pyridine, 3-bromo-6-iodo-2-methyl
Specifications & Purity
≥97%
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
Methylpyridines 2-halopyridines Aryl iodides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - Methylpyridine - 2-halopyridine - Aryl iodide - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Organopnictogen 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
3-bromo-6-iodo-2-methylpyridine
INCHI
InChI=1S/C6H5BrIN/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3
InChIKey
NCGLRIMMNYDKIO-UHFFFAOYSA-N
Smiles
CC1=C(C=CC(=N1)I)Br
Isomeric SMILES
CC1=C(C=CC(=N1)I)Br
Alternate CAS
1008361-77-0
PubChem CID
53302023
Molecular Weight
297.92
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
297.920 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
296.865 Da
Monoisotopic Mass
296.865 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
99.100
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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