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

• ChemBase ID: 290365
• Molecular Formular: C11H16BClN2O2
• Molecular Mass: 254.52094
• Monoisotopic Mass: 254.09933584
• SMILES: Nc1ccc(B2OC(C)(C)C(C)(C)O2)nc1Cl
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(c(n1)Cl)N
• InChI: InChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)8-6-5-7(14)9(13)15-8/h5-6H,14H2,1-4H3
• InChIKey: RFWDIEIRRPLYLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
• IUPAC Traditional name: 2-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
• Synonyms: 2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

Database IDs

• CAS Number: 1150561-74-2
• PubChem SID: 180675896
• PubChem CID: 46737993

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3926
• LogD (pH = 7.4): 3.3926
• Log P: 3.3926
• Molar Refractivity: 64.4362 cm^3
• Polarizability: 26.197594 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%