3,5-diaminopyridin-2-ol dihydrochloride

• ChemBase ID: 815696
• Molecular Formular: C5H9Cl2N3O
• Molecular Mass: 198.05046
• Monoisotopic Mass: 197.01226728
• SMILES: Cl.Cl.n1c(c(cc(c1)N)N)O
• Canonical SMILES: Nc1cnc(c(c1)N)O.Cl.Cl
• InChI: InChI=1S/C5H7N3O.2ClH/c6-3-1-4(7)5(9)8-2-3;;/h1-2H,6-7H2,(H,8,9);2*1H
• InChIKey: DCCNOIPFTMMSHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diaminopyridin-2-ol dihydrochloride
• IUPAC Traditional name: 3,5-diaminopyridin-2-ol dihydrochloride
• Synonyms: 3,5-diaminopyridin-2-ol dihydrochloride

Database IDs

• CAS Number: 5997-97-7

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.61138666
• Log P: -0.6113863
• Molar Refractivity: 35.5963 cm^3
• Polarizability: 12.348839 Å^3
• Polar Surface Area: 85.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 13.700019
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.61139864

PROPERTIES

Product Information

• Purity: 98%