2-(dimethylamino)pyridine-4-carbaldehyde

• ChemBase ID: 815449
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(cc(ncc1)N(C)C)C=O
• Canonical SMILES: O=Cc1ccnc(c1)N(C)C
• InChI: InChI=1S/C8H10N2O/c1-10(2)8-5-7(6-11)3-4-9-8/h3-6H,1-2H3
• InChIKey: VLKZHGOJZULFBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)pyridine-4-carbaldehyde
• IUPAC Traditional name: 2-(dimethylamino)pyridine-4-carbaldehyde
• Synonyms: 2-(dimethylamino)isonicotinaldehyde

Database IDs

• CAS Number: 774239-05-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1246465
• LogD (pH = 7.4): 1.1699654
• Log P: 1.1705772
• Molar Refractivity: 45.2272 cm^3
• Polarizability: 16.147373 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%