Methyl 3-bromoimidazo[1,2-a]pyridine-6-carboxylate - ≥97% , CAS No.886361-98-4

CAS: 886361-98-4 Cat. No.: M187708 Molecular Weight: 255.1 EC Number: 890-741-3

GRADE & PURITY ≥97%

Synonyms

AKOS005071092 | DTXSID80585926 | methyl-3-bromoimidazo[1,2-a]pyridine-6-carboxylate | EN300-7386119 | J-522158 | A842736 | SCHEMBL3033347 | AM20061588 | SY334995 | 7X-0887 | Methyl 3-Bromoimidazo[1,2-a]pyridine-6-carboxylate | MFCD07021501 | W17529 | FT-0

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS005071092 | DTXSID80585926 | methyl-3-bromoimidazo[1, 2-a]pyridine-6-carboxylate | EN300-7386119 | J-522158 | A842736 | SCHEMBL3033347 | AM20061588 | SY334995 | 7X-0887 | Methyl 3-Bromoimidazo[1, 2-a]pyridine-6-carboxylate | MFCD07021501 | W17529 | FT-0

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199375
• Canonical Smiles: COC(=O)C1=CN2C(=NC=C2Br)C=C1
• IUPAC Name: methyl 3-bromoimidazo[1,2-a]pyridine-6-carboxylate
• InChIKey: UZGCHIJIFAKVNH-UHFFFAOYSA-N
• INCHI: 1S/C9H7BrN2O2/c1-14-9(13)6-2-3-8-11-4-7(10)12(8)5-6/h2-5H,1H3
• Isomeric SMILES: COC(=O)C1=CN2C(=NC=C2Br)C=C1
• Molecular Weight: 255.1
• Reaxy-Rn: 19143066
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19143066&ln=

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: Pyridinecarboxylic acids Imidazo[1,2-a]pyridines N-substituted imidazoles Aryl bromides Vinylogous amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aryl bromide - Aryl halide - Pyridine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 255.070 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.969 Da
• Monoisotopic Mass: 253.969 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 237.000
• 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