5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

• ChemBase ID: 87571
• Molecular Formular: C11H17BN2O2
• Molecular Mass: 220.07588
• Monoisotopic Mass: 220.13830819
• SMILES: O1B(c2cncc(c2)N)OC(C1(C)C)(C)C
• Canonical SMILES: Nc1cncc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8/h5-7H,13H2,1-4H3
• InChIKey: DAISWHFZWZZBBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
• IUPAC Traditional name: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
• Synonyms: 5-Aminopyridine-3-boronic acid pinacol ester; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine; 5-Aminopyridine-3-boronic acid, pinacol ester; 3-Aminopyridine-5-boronic acid, pinacol ester

Database IDs

• CAS Number: 1073354-99-0
• MDL Number: MFCD09260489
• PubChem SID: 162074611
• PubChem CID: 43811068

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7798116
• LogD (pH = 7.4): 1.8049678
• Log P: 1.8053
• Molar Refractivity: 58.2566 cm^3
• Polarizability: 24.24174 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95+%; 97%