imidazo[1,2-a]pyridine-6-carbonitrile

• ChemBase ID: 42513
• Molecular Formular: C8H5N3
• Molecular Mass: 143.1454
• Monoisotopic Mass: 143.04834718
• SMILES: n12c(ncc2)ccc(c1)C#N
• Canonical SMILES: N#Cc1ccc2n(c1)ccn2
• InChI: InChI=1S/C8H5N3/c9-5-7-1-2-8-10-3-4-11(8)6-7/h1-4,6H
• InChIKey: LRJOKNYELSECDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-6-carbonitrile
• IUPAC Traditional name: imidazo[1,2-a]pyridine-6-carbonitrile
• Synonyms: Imidazo[1,2-a]pyridine-6-carbonitrile; Imidazo[1,2-a]pyridine-6-carbonitrile 97%; Imidazo[1,2-a]pyridine-6-carbonitrile; 6-Cyanoimidazo[1,2-a]pyridine-6-carbonitrile

Database IDs

• CAS Number: 106850-34-4
• MDL Number: MFCD06659603
• PubChem SID: 162047276
• PubChem CID: 2764471

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.1010475
• LogD (pH = 7.4): 0.5798951
• Log P: 0.6156456
• Molar Refractivity: 41.658 cm^3
• Polarizability: 15.11602 Å^3
• Polar Surface Area: 41.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-163°C; 161-163°C; 165 - 167 °C; 165-167°C

Safety Information

• Storage Warning: Harmful; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501

Product Information

• Purity: > 95%; >95%; 97%