2-(morpholin-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 282651
• Molecular Formular: C12H13N3O2
• Molecular Mass: 231.25052
• Monoisotopic Mass: 231.10077667
• SMILES: c1(nc2n(c1C=O)cccc2)N1CCOCC1
• Canonical SMILES: O=Cc1c(nc2n1cccc2)N1CCOCC1
• InChI: InChI=1S/C12H13N3O2/c16-9-10-12(14-5-7-17-8-6-14)13-11-3-1-2-4-15(10)11/h1-4,9H,5-8H2
• InChIKey: GDFDYTLUCIDGGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 2-(morpholin-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 2-(morpholin-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

Database IDs

• MDL Number: MFCD12529270
• PubChem SID: 180668182
• PubChem CID: 43477766

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.87289035
• LogD (pH = 7.4): 0.8760139
• Log P: 0.8760538
• Molar Refractivity: 66.2145 cm^3
• Polarizability: 23.679947 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 1.27

Product Information

• Purity: 95%