[6-(cyclopentylamino)pyridin-2-yl]boronic acid

• ChemBase ID: 804910
• Molecular Formular: C10H15BN2O2
• Molecular Mass: 206.0493
• Monoisotopic Mass: 206.12265813
• SMILES: B(O)(O)c1nc(ccc1)NC1CCCC1
• Canonical SMILES: OB(c1cccc(n1)NC1CCCC1)O
• InChI: InChI=1S/C10H15BN2O2/c14-11(15)9-6-3-7-10(13-9)12-8-4-1-2-5-8/h3,6-8,14-15H,1-2,4-5H2,(H,12,13)
• InChIKey: ZXYNRDLKRHNRJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(cyclopentylamino)pyridin-2-yl]boronic acid
• IUPAC Traditional name: 6-(cyclopentylamino)pyridin-2-ylboronic acid
• Synonyms: 6-(CYCLOPENTYLAMINO)PYRIDINE-2-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.0515375
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.4814138
• LogD (pH = 7.4): 2.400365
• Log P: 2.4878
• Molar Refractivity: 55.6806 cm^3
• Polarizability: 22.260433 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%