2-amino-6-chloropyridin-3-ol

• ChemBase ID: 814091
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: n1c(c(ccc1Cl)O)N
• Canonical SMILES: Clc1ccc(c(n1)N)O
• InChI: InChI=1S/C5H5ClN2O/c6-4-2-1-3(9)5(7)8-4/h1-2,9H,(H2,7,8)
• InChIKey: QINLAVASMOFTPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-chloropyridin-3-ol
• IUPAC Traditional name: 2-amino-6-chloropyridin-3-ol
• Synonyms: 2-amino-6-chloropyridin-3-ol

Database IDs

• CAS Number: 159309-66-7

CALCULATED PROPERTIES

• Acid pKa: 9.178719
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0405893
• LogD (pH = 7.4): 1.0346956
• Log P: 1.0417615
• Molar Refractivity: 36.762 cm^3
• Polarizability: 13.174689 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%