2-aminopyridin-4-ol

• ChemBase ID: 66689
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(cc(ccn1)O)N
• Canonical SMILES: Oc1ccnc(c1)N
• InChI: InChI=1S/C5H6N2O/c6-5-3-4(8)1-2-7-5/h1-3H,(H3,6,7,8)
• InChIKey: HQNIMNQVKVPZES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopyridin-4-ol
• IUPAC Traditional name: 2-aminopyridin-4-ol
• Synonyms: 2-Aminopyridin-4-ol; 2-Amino-4-hydroxypyridine

Database IDs

• CAS Number: 33631-05-9
• MDL Number: MFCD04114161
• PubChem SID: 162032426
• PubChem CID: 820936

CALCULATED PROPERTIES

• Acid pKa: 10.431408
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.18469875
• LogD (pH = 7.4): 0.21670228
• Log P: 0.21753964
• Molar Refractivity: 30.8959 cm^3
• Polarizability: 11.183189 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%