2-amino-5-chloropyridin-4-ol

• ChemBase ID: 283990
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: c1c(c(cnc1N)Cl)O
• Canonical SMILES: Nc1ncc(c(c1)O)Cl
• InChI: InChI=1S/C5H5ClN2O/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H3,7,8,9)
• InChIKey: FFQWATRBGHOQBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-chloropyridin-4-ol
• IUPAC Traditional name: 2-amino-5-chloropyridin-4-ol
• Synonyms: 2-amino-5-chloropyridin-4-ol

Database IDs

• MDL Number: MFCD07787431
• PubChem SID: 180669521
• PubChem CID: 44887002

CALCULATED PROPERTIES

• Acid pKa: 8.872329
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8204549
• LogD (pH = 7.4): 0.80745703
• Log P: 0.82158434
• Molar Refractivity: 35.7007 cm^3
• Polarizability: 13.138587 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.129

Product Information

• Purity: 95%; 98%