Imidazo[1,2-a]pyridin-3-yl-acetic acid - ≥98% , CAS No.17745-04-9

CAS: 17745-04-9 Cat. No.: I305203 Molecular Weight: 176.18

GRADE & PURITY ≥98%

Synonyms

BRN 0779907 | Q27461384 | 2-{imidazo[1,2-a]pyridin-3-yl}acetic acid | ZVBVKRNOISRONE-UHFFFAOYSA-N | F30060 | 2-(imidazo[1,2-a]pyridin-3-yl)acetic acid | AKOS005264354 | IDL | FT-0678433 | Imidazo[1,2-a]pyridine-3-acetic acid | MFCD01720477 | FS-5271 | BCP

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

Application：

2-(Imidazo[1,2-a]pyridin-3-yl)acetic Acid has been used as a reactant for the preparation of aza-heteroarylbisphosphonate derivatives.

Specifications

Synonyms

BRN 0779907 | Q27461384 | 2-{imidazo[1, 2-a]pyridin-3-yl}acetic acid | ZVBVKRNOISRONE-UHFFFAOYSA-N | F30060 | 2-(imidazo[1, 2-a]pyridin-3-yl)acetic acid | AKOS005264354 | IDL | FT-0678433 | Imidazo[1, 2-a]pyridine-3-acetic acid | MFCD01720477 | FS-5271 | BCP

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755872
• Canonical Smiles: C1=CC2=NC=C(N2C=C1)CC(=O)O
• IUPAC Name: 2-imidazo[1,2-a]pyridin-3-ylacetic acid
• InChIKey: ZVBVKRNOISRONE-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)
• Isomeric SMILES: C1=CC2=NC=C(N2C=C1)CC(=O)O
• Molecular Weight: 176.18
• Reaxy-Rn: 779907
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=779907&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: Imidazo[1,2-a]pyridines Pyridines and derivatives N-substituted imidazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Pyridine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - 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: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 176.059 Da
• Monoisotopic Mass: 176.059 Da
• Topological Polar Surface Area: 54.600 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