4-(dimethylamino)pyridine-3-carbaldehyde

• ChemBase ID: 246384
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(c(N(C)C)ccnc1)C=O
• Canonical SMILES: O=Cc1cnccc1N(C)C
• InChI: InChI=1S/C8H10N2O/c1-10(2)8-3-4-9-5-7(8)6-11/h3-6H,1-2H3
• InChIKey: UZSVPQHBQXBRCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethylamino)pyridine-3-carbaldehyde
• IUPAC Traditional name: 4-(dimethylamino)pyridine-3-carbaldehyde
• Synonyms: 4-(dimethylamino)pyridine-3-carbaldehyde

Database IDs

• MDL Number: MFCD18384613
• PubChem SID: 164302294
• PubChem CID: 11636829

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.38615385
• LogD (pH = 7.4): 0.18164286
• Log P: 0.5761196
• Molar Refractivity: 44.9137 cm^3
• Polarizability: 16.14379 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.284

Product Information

• Purity: 95%