3-aminopyridin-2-ol

• ChemBase ID: 22452
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(c(cccn1)N)O
• Canonical SMILES: Nc1cccnc1O
• InChI: InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
• InChIKey: VTSFNCCQCOEPKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyridin-2-ol
• IUPAC Traditional name: 3-aminopyridin-2-ol
• Synonyms: 3-Amino-2-hydroxypyridine; 3-Aminopyridin-2-ol; 3-amino-2-pyridinol

Database IDs

• CAS Number: 33630-99-8; 59315-44-5
• MDL Number: MFCD03411556
• PubChem SID: 160985759
• PubChem CID: 322353

CALCULATED PROPERTIES

• Acid pKa: 12.230859
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21753548
• LogD (pH = 7.4): 0.21753325
• Log P: 0.21753964
• Molar Refractivity: 30.8959 cm^3
• Polarizability: 11.190134 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+%; 98%