4-(aminomethyl)pyridin-2-ol dihydrobromide

• ChemBase ID: 266896
• Molecular Formular: C6H10Br2N2O
• Molecular Mass: 285.9644
• Monoisotopic Mass: 283.91598695
• SMILES: n1c(cc(CN)cc1)O.Br.Br
• Canonical SMILES: NCc1ccnc(c1)O.Br.Br
• InChI: InChI=1S/C6H8N2O.2BrH/c7-4-5-1-2-8-6(9)3-5;;/h1-3H,4,7H2,(H,8,9);2*1H
• InChIKey: RZKRKAZDYQRCJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)pyridin-2-ol dihydrobromide
• IUPAC Traditional name: 4-(aminomethyl)pyridin-2-ol dihydrobromide
• Synonyms: 4-(aminomethyl)pyridin-2-ol dihydrobromide

Database IDs

• MDL Number: MFCD16040089
• PubChem SID: 164322806
• PubChem CID: 47002865

CALCULATED PROPERTIES

• Acid pKa: 11.103869
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7082934
• LogD (pH = 7.4): -1.3365856
• Log P: 0.17223403
• Molar Refractivity: 34.6689 cm^3
• Polarizability: 13.399546 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): -0.116

Product Information

• Purity: 95%