2-(dimethylamino)pyridin-3-ol

• ChemBase ID: 270501
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(ncccc1O)N(C)C
• Canonical SMILES: CN(c1ncccc1O)C
• InChI: InChI=1S/C7H10N2O/c1-9(2)7-6(10)4-3-5-8-7/h3-5,10H,1-2H3
• InChIKey: UQENCUMESUUCBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)pyridin-3-ol
• IUPAC Traditional name: 2-(dimethylamino)pyridin-3-ol
• Synonyms: 2-(dimethylamino)pyridin-3-ol

Database IDs

• MDL Number: MFCD16998144
• PubChem SID: 164326411
• PubChem CID: 272724

CALCULATED PROPERTIES

• Acid pKa: 9.485202
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.107996926
• LogD (pH = 7.4): 1.0740297
• Log P: 1.1545094
• Molar Refractivity: 40.6241 cm^3
• Polarizability: 14.858844 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 1.646

Product Information

• Purity: 95%