5-amino-6-chloropyridin-2-ol

• ChemBase ID: 247370
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: n1c(c(ccc1O)N)Cl
• Canonical SMILES: Oc1ccc(c(n1)Cl)N
• InChI: InChI=1S/C5H5ClN2O/c6-5-3(7)1-2-4(9)8-5/h1-2H,7H2,(H,8,9)
• InChIKey: PWSZBXLJPSKYRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-6-chloropyridin-2-ol
• IUPAC Traditional name: 5-amino-6-chloropyridin-2-ol
• Synonyms: 5-amino-6-chloropyridin-2-ol

Database IDs

• MDL Number: MFCD16606119
• PubChem SID: 164303280
• PubChem CID: 71758208

CALCULATED PROPERTIES

• Acid pKa: 12.142455
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0417613
• LogD (pH = 7.4): 1.0417538
• Log P: 1.0417615
• Molar Refractivity: 36.762 cm^3
• Polarizability: 13.187024 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.459

Product Information

• Purity: 95%