1-(6-bromopyridin-2-yl)piperidin-4-ol

• ChemBase ID: 804855
• Molecular Formular: C10H13BrN2O
• Molecular Mass: 257.12702
• Monoisotopic Mass: 256.02112505
• SMILES: C1(CCN(CC1)c1nc(ccc1)Br)O
• Canonical SMILES: OC1CCN(CC1)c1cccc(n1)Br
• InChI: InChI=1S/C10H13BrN2O/c11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13/h1-3,8,14H,4-7H2
• InChIKey: CCWYAJBKVIUXOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-bromopyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(6-bromopyridin-2-yl)piperidin-4-ol
• Synonyms: 1-(6-BROMOPYRIDIN-2-YL)PIPERIDIN-4-OL

Database IDs

• CAS Number: 1017781-64-4

CALCULATED PROPERTIES

• Acid pKa: 15.177715
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7494903
• LogD (pH = 7.4): 1.7503974
• Log P: 1.750409
• Molar Refractivity: 60.8325 cm^3
• Polarizability: 22.557665 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%