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

• ChemBase ID: 810520
• Molecular Formular: C11H17BN2O2
• Molecular Mass: 220.07588
• Monoisotopic Mass: 220.13830819
• SMILES: CC1(C)OB(OC1(C)C)c1ncc(cc1)N
• Canonical SMILES: Nc1ccc(nc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)9-6-5-8(13)7-14-9/h5-7H,13H2,1-4H3
• InChIKey: KGJLKZBQDICBMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
• Synonyms: 5-AMINOPYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 117623-60-6

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5036738
• LogD (pH = 7.4): 2.5038972
• Log P: 2.5039
• Molar Refractivity: 58.5701 cm^3
• Polarizability: 24.245584 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%