4-aminopyridin-2-ol

• ChemBase ID: 66741
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(cc(ccn1)N)O
• Canonical SMILES: Nc1ccnc(c1)O
• InChI: InChI=1S/C5H6N2O/c6-4-1-2-7-5(8)3-4/h1-3H,(H3,6,7,8)
• InChIKey: SBQVQYPJWLJRQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 38767-72-5; 59315-45-6
• MDL Number: MFCD02682913
• PubChem SID: 162032477
• PubChem CID: 573530

CALCULATED PROPERTIES

• Acid pKa: 11.4765415
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21626717
• LogD (pH = 7.4): 0.21748759
• Log P: 0.21753964
• Molar Refractivity: 30.8959 cm^3
• Polarizability: 11.184838 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%