5-aminopyridin-3-ol

• ChemBase ID: 67803
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1c(cc(cn1)O)N
• Canonical SMILES: Nc1cncc(c1)O
• InChI: InChI=1S/C5H6N2O/c6-4-1-5(8)3-7-2-4/h1-3,8H,6H2
• InChIKey: YZSGZMGPVYECOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyridin-3-ol
• IUPAC Traditional name: 5-aminopyridin-3-ol
• Synonyms: 3-Amino-5-hydroxypyridine; 5-Aminopyridin-3-ol

Database IDs

• CAS Number: 3543-01-9; 600103
• MDL Number: MFCD04114213
• PubChem SID: 162033538
• PubChem CID: 2762895

CALCULATED PROPERTIES

• Acid pKa: 8.995615
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.76930225
• LogD (pH = 7.4): -0.39753887
• Log P: -0.3769179
• Molar Refractivity: 30.5824 cm^3
• Polarizability: 11.186788 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%