Methyl imidazo[1,2-a]pyridine-6-carboxylate - ≥97% , CAS No.136117-69-6

CAS: 136117-69-6 Cat. No.: M173570 Molecular Weight: 176.175 EC Number: 815-042-2

GRADE & PURITY ≥97%

Synonyms

DTXSID80377404 | PB14429 | AKOS005071080 | IMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLIC ACID, METHYL ESTER | SB10302 | Methyl imidazo[1,2-a]pyridin-6-carboxylate | W-205481 | BTDBMFODXFTFIL-UHFFFAOYSA-N | methyl imidazo[1,2-alpha]pyridin-6-carboxylate | SCHEMBL359

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DTXSID80377404 | PB14429 | AKOS005071080 | IMIDAZO[1, 2-A]PYRIDINE-6-CARBOXYLIC ACID, METHYL ESTER | SB10302 | Methyl imidazo[1, 2-a]pyridin-6-carboxylate | W-205481 | BTDBMFODXFTFIL-UHFFFAOYSA-N | methyl imidazo[1, 2-alpha]pyridin-6-carboxylate | SCHEMBL359

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=CN2C=CN=C2C=C1
• IUPAC Name: methyl imidazo[1,2-a]pyridine-6-carboxylate
• InChIKey: BTDBMFODXFTFIL-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O2/c1-13-9(12)7-2-3-8-10-4-5-11(8)6-7/h2-6H,1H3
• Isomeric SMILES: COC(=O)C1=CN2C=CN=C2C=C1
• Molecular Weight: 176.175
• Reaxy-Rn: 4802363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4802363&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 Vinylogous amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Imidazo[1,2-a]pyridine - N-substituted imidazole - Pyridine - Imidazole - Azole - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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: 176.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 176.059 Da
• Monoisotopic Mass: 176.059 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 208.000
• 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