6-(methylamino)pyridin-3-ol

• ChemBase ID: 814241
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1cc(ccc1NC)O
• Canonical SMILES: CNc1ccc(cn1)O
• InChI: InChI=1S/C6H8N2O/c1-7-6-3-2-5(9)4-8-6/h2-4,9H,1H3,(H,7,8)
• InChIKey: GLMOETVLMWPNRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methylamino)pyridin-3-ol
• IUPAC Traditional name: 6-(methylamino)pyridin-3-ol
• Synonyms: 6-(methylamino)pyridin-3-ol

Database IDs

• CAS Number: 1196154-64-9

CALCULATED PROPERTIES

• Acid pKa: 10.131898
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.36392465
• LogD (pH = 7.4): 0.47416085
• Log P: 0.5192437
• Molar Refractivity: 36.3893 cm^3
• Polarizability: 13.020047 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%