[6-(dimethylamino)pyridin-3-yl]methanol

• ChemBase ID: 309039
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: n1c(N(C)C)ccc(c1)CO
• Canonical SMILES: OCc1ccc(nc1)N(C)C
• InChI: InChI=1S/C8H12N2O/c1-10(2)8-4-3-7(6-11)5-9-8/h3-5,11H,6H2,1-2H3
• InChIKey: BSPSQSDQPGKYRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(dimethylamino)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(dimethylamino)pyridin-3-yl]methanol
• Synonyms: (6-(DIMETHYLAMINO)PYRIDIN-3-YL)METHANOL; [6-(dimethylamino)-3-pyridinyl]methanol

Database IDs

• CAS Number: 20173-74-4
• MDL Number: MFCD08236841

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.060265575
• LogD (pH = 7.4): 0.6711316
• Log P: 0.690725
• Molar Refractivity: 45.4591 cm^3
• Polarizability: 16.705227 Å^3
• Polar Surface Area: 36.36 Å^2
• Acid pKa: 14.845217
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%