5-(aminomethyl)pyridin-2-ol dihydrobromide

• ChemBase ID: 276274
• Molecular Formular: C6H10Br2N2O
• Molecular Mass: 285.9644
• Monoisotopic Mass: 283.91598695
• SMILES: n1c(ccc(c1)CN)O.Br.Br
• Canonical SMILES: NCc1ccc(nc1)O.Br.Br
• InChI: InChI=1S/C6H8N2O.2BrH/c7-3-5-1-2-6(9)8-4-5;;/h1-2,4H,3,7H2,(H,8,9);2*1H
• InChIKey: KCYAUNMGRZVUMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)pyridin-2-ol dihydrobromide
• IUPAC Traditional name: 5-(aminomethyl)pyridin-2-ol dihydrobromide
• Synonyms: 5-(aminomethyl)pyridin-2-ol dihydrobromide

Database IDs

• MDL Number: MFCD19382110
• PubChem SID: 164332184
• PubChem CID: 54594095

CALCULATED PROPERTIES

• Acid pKa: 11.180536
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7706978
• LogD (pH = 7.4): -1.5814801
• Log P: 0.17223403
• Molar Refractivity: 34.6689 cm^3
• Polarizability: 13.399795 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): -0.116

Product Information

• Purity: 95%