3-ethylimidazo[1,5-a]pyridine-1-carbaldehyde

• ChemBase ID: 275853
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n12c(c(nc1CC)C=O)cccc2
• Canonical SMILES: O=Cc1nc(n2c1cccc2)CC
• InChI: InChI=1S/C10H10N2O/c1-2-10-11-8(7-13)9-5-3-4-6-12(9)10/h3-7H,2H2,1H3
• InChIKey: VUOGFRNHRWUAJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylimidazo[1,5-a]pyridine-1-carbaldehyde
• IUPAC Traditional name: 3-ethylimidazo[1,5-a]pyridine-1-carbaldehyde
• Synonyms: 3-ethylimidazo[1,5-a]pyridine-1-carbaldehyde

Database IDs

• MDL Number: MFCD05865924
• PubChem SID: 164331763
• PubChem CID: 1383645

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7498548
• LogD (pH = 7.4): 1.5805986
• Log P: 1.6220517
• Molar Refractivity: 51.6031 cm^3
• Polarizability: 19.466908 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 2.088

Product Information

• Purity: 95%