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6-Bromo-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde - 96%, high purity , CAS No.1072944-75-2
Basic Description
Synonyms
6-Bromo-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde | 1072944-75-2 | PAHPNWWTCINFQJ-UHFFFAOYSA-N | SCHEMBL1870362 | DTXSID10674796 | XSB94475 | MFCD11504923 | AKOS015834032 | BS-25199 | CS-0212680 | A895611 | 6-Bromo-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde, AldrichCPR
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazopyridines
Alternative Parents
Imidazo[1,2-a]pyridines Methylpyridines Carbonylimidazoles Aryl-aldehydes N-substituted imidazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazo[1,2-a]pyridine - Imidazopyridine - Imidazole-4-carbonyl group - Methylpyridine - Aryl-aldehyde - Aryl bromide - Aryl halide - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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
6-bromo-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
INCHI
InChI=1S/C9H7BrN2O/c1-6-2-9-11-3-7(5-13)12(9)4-8(6)10/h2-5H,1H3
InChIKey
PAHPNWWTCINFQJ-UHFFFAOYSA-N
Smiles
CC1=CC2=NC=C(N2C=C1Br)C=O
Isomeric SMILES
CC1=CC2=NC=C(N2C=C1Br)C=O
Molecular Weight
239.1
Reaxy-Rn
21436150
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21436150&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
239.070 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
237.974 Da
Monoisotopic Mass
237.974 Da
Topological Polar Surface Area
34.400 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
212.000
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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