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

• ChemBase ID: 804895
• Molecular Formular: C14H21BN2O2
• Molecular Mass: 260.13974
• Monoisotopic Mass: 260.16960832
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)NC1CC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)NC1CC1
• InChI: InChI=1S/C14H21BN2O2/c1-13(2)14(3,4)19-15(18-13)11-6-5-7-12(17-11)16-10-8-9-10/h5-7,10H,8-9H2,1-4H3,(H,16,17)
• InChIKey: MCNPFKACURQVIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC Traditional name: N-cyclopropyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• Synonyms: 6-(CYCLOPROPYLAMINO)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9520159
• LogD (pH = 7.4): 3.9557521
• Log P: 3.9558
• Molar Refractivity: 71.5882 cm^3
• Polarizability: 29.041204 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%