6-(dimethylamino)pyridine-2-carbaldehyde

• ChemBase ID: 798861
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1cc(nc(c1)C=O)N(C)C
• Canonical SMILES: O=Cc1cccc(n1)N(C)C
• InChI: InChI=1S/C8H10N2O/c1-10(2)8-5-3-4-7(6-11)9-8/h3-6H,1-2H3
• InChIKey: ZTVIIARHSJJRHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(dimethylamino)pyridine-2-carbaldehyde
• Synonyms: 6-(dimethylamino)picolinaldehyde

Database IDs

• CAS Number: 208110-83-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7403295
• LogD (pH = 7.4): 1.8436263
• Log P: 1.8451202
• Molar Refractivity: 44.842 cm^3
• Polarizability: 16.152023 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%