3-amino-5-chloropyridin-2-ol

• ChemBase ID: 293266
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: Nc1cc(Cl)cnc1O
• Canonical SMILES: Clc1cnc(c(c1)N)O
• InChI: InChI=1S/C5H5ClN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
• InChIKey: VXZVNWIPIHJGQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-chloropyridin-2-ol
• IUPAC Traditional name: 3-amino-5-chloropyridin-2-ol
• Synonyms: 3-Amino-5-chloro-2-hydroxypyridine

Database IDs

• CAS Number: 98027-36-2
• PubChem SID: 180678797
• PubChem CID: 21560644

CALCULATED PROPERTIES

• Acid pKa: 11.754042
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8215756
• LogD (pH = 7.4): 0.8215652
• Log P: 0.82158434
• Molar Refractivity: 35.7007 cm^3
• Polarizability: 13.133136 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%