6-aminopyridin-2-ol

• ChemBase ID: 64415
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: n1c(N)cccc1O
• Canonical SMILES: Nc1cccc(n1)O
• InChI: InChI=1S/C5H6N2O/c6-4-2-1-3-5(8)7-4/h1-3H,(H3,6,7,8)
• InChIKey: DMIHQARPYPNHJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridin-2-ol
• IUPAC Traditional name: 6-aminopyridin-2-ol
• Synonyms: 6-Hydroxypyridin-2-amine; 6-Aminopyridin-2-ol; 2-Amino-6-hydroxypyridine

Database IDs

• CAS Number: 5154-00-7
• MDL Number: MFCD00039717
• PubChem SID: 162030154
• PubChem CID: 101007

CALCULATED PROPERTIES

• Acid pKa: 11.602957
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.81194997
• LogD (pH = 7.4): 0.81196964
• Log P: 0.8119972
• Molar Refractivity: 31.2094 cm^3
• Polarizability: 11.188821 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210-212°C

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Light Sensitive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 97%; 98%