5-(dimethylamino)pyridine-2-carbaldehyde

• ChemBase ID: 801805
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: n1c(ccc(c1)N(C)C)C=O
• Canonical SMILES: O=Cc1ccc(cn1)N(C)C
• InChI: InChI=1S/C8H10N2O/c1-10(2)8-4-3-7(6-11)9-5-8/h3-6H,1-2H3
• InChIKey: JTRWCDQGOOUVRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethylamino)pyridine-2-carbaldehyde
• IUPAC Traditional name: 5-(dimethylamino)pyridine-2-carbaldehyde
• Synonyms: 5-(DIMETHYLAMINO)-2-PYRIDINECARBOXALDEHYDE

Database IDs

• CAS Number: 31191-06-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2429407
• LogD (pH = 7.4): 1.2505646
• Log P: 1.2506627
• Molar Refractivity: 44.5285 cm^3
• Polarizability: 16.151413 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%