3-(aminomethyl)pyridin-2-ol

• ChemBase ID: 245967
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(c(CN)cccn1)O
• Canonical SMILES: NCc1cccnc1O
• InChI: InChI=1S/C6H8N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,4,7H2,(H,8,9)
• InChIKey: QHRUXDXIVIYFJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06213501
• PubChem SID: 164301877
• PubChem CID: 579640

CALCULATED PROPERTIES

• Acid pKa: 10.4548855
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8278272
• LogD (pH = 7.4): -2.0008068
• Log P: -0.08925267
• Molar Refractivity: 34.6689 cm^3
• Polarizability: 13.399956 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): -0.166

Product Information

• Purity: 95%