imidazo[1,2-a]pyridine

• ChemBase ID: 61430
• Molecular Formular: C7H6N2
• Molecular Mass: 118.13594
• Monoisotopic Mass: 118.0530982
• SMILES: c12ccccn1ccn2
• Canonical SMILES: c1ccc2n(c1)ccn2
• InChI: InChI=1S/C7H6N2/c1-2-5-9-6-4-8-7(9)3-1/h1-6H
• InChIKey: UTCSSFWDNNEEBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine
• IUPAC Traditional name: imidazo[1,2-a]pyridine
• Synonyms: Imidazo[1,2-a]pyridine; Imidazo[1,2-a]pyridine; 1,3a-Diazaindene; 1-Azaindolizine; Pyridino[1',2':1,2]glyoxaline; Pyrimidazole; 咪唑并[1,2-a]吡啶

Database IDs

• CAS Number: 274-76-0
• MDL Number: MFCD00005553
• PubChem SID: 162027171; 24856670
• PubChem CID: 78960

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.05901403
• LogD (pH = 7.4): 0.7015696
• Log P: 0.75954944
• Molar Refractivity: 35.9364 cm^3
• Polarizability: 13.286694 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Yellow Oil
• Melting Point: 205 - 208°C
• Boiling Point: 103 °C/1 mmHg(lit.); 103°C/1mm
• Flash Point: 113 °C; 235.4 °F
• Density: 1.165; 1.165 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.626(lit.)
• Hydrophobicity(logP): 1.206

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%; 99%
• Empirical Formula (Hill Notation): C7H6N2

DETAILS

Sigma Aldrich - 275778

Packaging
5, 25 g in glass bottle

Toronto Research Chemicals - I387450

Imidazo[1,2-a]pyridine is one of four imidazopyridine isomers. Imidazopyridine derivatives possess activity as inhibitors of target enzymes and have medicinal and pharmaceutical applications and are used as herbicides and fungicides.

REFERENCES

• Liu, J. et al.: Huax. Jinz., 22, 631 (2010)