5-aminopyridin-2-ol

• ChemBase ID: 90424
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: n1c(ccc(c1)N)O
• Canonical SMILES: Oc1ccc(cn1)N
• InChI: InChI=1S/C5H6N2O/c6-4-1-2-5(8)7-3-4/h1-3H,6H2,(H,7,8)
• InChIKey: GDOIKKMNCIMDAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyridin-2-ol
• IUPAC Traditional name: 5-aminopyridin-2-ol
• Synonyms: 5-Aminopyridin-2-ol; 5-Amino-2-hydroxypyridine; 5-Amino-2(1H)-pyridone; 5-Amino-2-hydroxypyridine; 5-氨基-2-羟基吡啶

Database IDs

• CAS Number: 33630-94-3
• MDL Number: MFCD03427652
• PubChem SID: 162077233
• PubChem CID: 818256

CALCULATED PROPERTIES

• Acid pKa: 12.717351
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21656953
• LogD (pH = 7.4): 0.21752535
• Log P: 0.21753964
• Molar Refractivity: 30.8959 cm^3
• Polarizability: 11.188332 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 180°C dec.

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%