4-methoxy-6-methylpyridine-2-carbaldehyde

• ChemBase ID: 247344
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: n1c(cc(cc1C)OC)C=O
• Canonical SMILES: COc1cc(C=O)nc(c1)C
• InChI: InChI=1S/C8H9NO2/c1-6-3-8(11-2)4-7(5-10)9-6/h3-5H,1-2H3
• InChIKey: VIGBXFGFNDLMIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-6-methylpyridine-2-carbaldehyde
• IUPAC Traditional name: 4-methoxy-6-methylpyridine-2-carbaldehyde
• Synonyms: 4-methoxy-6-methylpyridine-2-carbaldehyde

Database IDs

• MDL Number: MFCD18262151
• PubChem SID: 164303254
• PubChem CID: 12575854

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.71521896
• LogD (pH = 7.4): 1.1079427
• Log P: 1.1163177
• Molar Refractivity: 41.1546 cm^3
• Polarizability: 15.621305 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 1.447

Product Information

• Purity: 95%