[6-(dimethylamino)pyridin-2-yl]methanol

• ChemBase ID: 271880
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: n1c(N(C)C)cccc1CO
• Canonical SMILES: OCc1cccc(n1)N(C)C
• InChI: InChI=1S/C8H12N2O/c1-10(2)8-5-3-4-7(6-11)9-8/h3-5,11H,6H2,1-2H3
• InChIKey: GBNLHIYJOSNQGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(dimethylamino)pyridin-2-yl]methanol
• IUPAC Traditional name: [6-(dimethylamino)pyridin-2-yl]methanol
• Synonyms: [6-(dimethylamino)pyridin-2-yl]methanol

Database IDs

• MDL Number: MFCD16697789
• PubChem SID: 164327790
• PubChem CID: 50988946

CALCULATED PROPERTIES

• Acid pKa: 14.306983
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.07817889
• LogD (pH = 7.4): 0.7502211
• Log P: 0.7721969
• Molar Refractivity: 44.9369 cm^3
• Polarizability: 16.7063 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.771

Product Information

• Purity: 95%