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3-Bromo-7-methoxyimidazo[1,2-a]pyridine-8-carbonitrile - 95%, high purity , CAS No.1072944-45-6

COA

Grade & Purity:

≥95%

Cas Number: 1072944-45-6
Molecular Weight: 252.1
PubChem CID: 46739112

In stock

Item Number

B179147

Grouped product items
SKU	Size	Availability	Price	Qty
B179147-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,388.90
B179147-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,894.90

Basic Description

Synonyms	3-Bromo-7-methoxyimidazo[1,2-a]pyridine-8-carbonitrile \| 1072944-45-6 \| 3-Bromo-7-methoxyimidazo-[1,2-a]pyridine-8-carbonitrile \| DTXSID40674744 \| XSB94445 \| MFCD11504889 \| AKOS015835757 \| AT28793 \| BS-25691 \| CS-0211152 \| A895632
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyridines

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 Alkyl aryl ethers Pyridines and derivatives N-substituted imidazoles Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Imidazo[1,2-a]pyridine - Imidazopyridine - Alkyl aryl ether - Aryl bromide - Aryl halide - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Ether - Azacycle - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organohalogen compound - Organobromide - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-bromo-7-methoxyimidazo[1,2-a]pyridine-8-carbonitrile
INCHI	InChI=1S/C9H6BrN3O/c1-14-7-2-3-13-8(10)5-12-9(13)6(7)4-11/h2-3,5H,1H3
InChIKey	FWOYBZCRIUHVID-UHFFFAOYSA-N
Smiles	COC1=C(C2=NC=C(N2C=C1)Br)C#N
Isomeric SMILES	COC1=C(C2=NC=C(N2C=C1)Br)C#N
Molecular Weight	252.1
Reaxy-Rn	58428020
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58428020&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	252.070 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	250.969 Da
Monoisotopic Mass	250.969 Da
Topological Polar Surface Area	50.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	264.000
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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