3-(adamantan-1-yloxy)pyridine hydrobromide

• ChemBase ID: 55708
• Molecular Formular: C15H20BrNO
• Molecular Mass: 310.2294
• Monoisotopic Mass: 309.07282627
• SMILES: C12(CC3CC(C1)CC(C2)C3)Oc1cnccc1.Br
• Canonical SMILES: c1ccc(cn1)OC12CC3CC(C2)CC(C1)C3.Br
• InChI: InChI=1S/C15H19NO.BrH/c1-2-14(10-16-3-1)17-15-7-11-4-12(8-15)6-13(5-11)9-15;/h1-3,10-13H,4-9H2;1H
• InChIKey: QWRLIBVDRFXUCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(adamantan-1-yloxy)pyridine hydrobromide
• IUPAC Traditional name: 3-(adamantan-1-yloxy)pyridine hydrobromide
• Synonyms: 3-(1-Adamantyloxy)pyridine hydrobromide

Database IDs

• MDL Number: MFCD19103294
• PubChem SID: 162060471
• PubChem CID: 56773711

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6226034
• LogD (pH = 7.4): 2.6883843
• Log P: 2.6893086
• Molar Refractivity: 65.9811 cm^3
• Polarizability: 26.338951 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false