6-aminopyridin-3-ol

• ChemBase ID: 67809
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(ccc(cn1)O)N
• Canonical SMILES: Nc1ccc(cn1)O
• InChI: InChI=1S/C5H6N2O/c6-5-2-1-4(8)3-7-5/h1-3,8H,(H2,6,7)
• InChIKey: ZTWYBFHLUJUUDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridin-3-ol
• IUPAC Traditional name: 6-aminopyridin-3-ol
• Synonyms: 2-Amino-5-hydroxypryidine; 2-Amino-5-pyridinol; 6-Amino-3-hydroxypyridine; 6-Amino-3-pyridinol; 6-Aminopyridin-3-ol; 6-Aminopyridin-3-ol; 5-Hydroxypyridin-2-amine; 2-Amino-5-hydroxypyridine

Database IDs

• CAS Number: 55717-46-9
• MDL Number: MFCD03541056
• PubChem SID: 162033544
• PubChem CID: 4231972

CALCULATED PROPERTIES

• Acid pKa: 10.167422
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7678203
• LogD (pH = 7.4): 0.1548961
• Log P: 0.21753964
• Molar Refractivity: 30.8959 cm^3
• Polarizability: 11.185558 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%

DETAILS

Toronto Research Chemicals - A611610

A substituted pyridine used as an efficient antioxidant in human low density lipoproteins.

REFERENCES

• Pratt, D.A. et al.: J. Am. Chem. Soc., 123, 4625(2001)
• Seal, J.R., Dissertation, 180 (2001)