2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 30795
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c12n(c(c(n1)C)C=O)cccc2C
• Canonical SMILES: O=Cc1c(C)nc2n1cccc2C
• InChI: InChI=1S/C10H10N2O/c1-7-4-3-5-12-9(6-13)8(2)11-10(7)12/h3-6H,1-2H3
• InChIKey: NAJSJTOWNZKNLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 2,8-Dimethyl-imidazo[1,2-a]pyridine-3-carbaldehyde

Database IDs

• MDL Number: MFCD03789000
• PubChem SID: 160994102
• PubChem CID: 2758567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8818466
• LogD (pH = 7.4): 1.0344762
• Log P: 1.0368445
• Molar Refractivity: 52.0306 cm^3
• Polarizability: 18.715958 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false