CAS 944401-57-4|5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine|5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine|5-(tetramethyl-1,3,2-dio...

General Information

Structure

Molecular Formula

C₁₂H₁₆BF₃N₂O₂

Molecular Mass

288.0738496

Exact Mass

288.12569282

Charge

InChI

InChI=1S/C12H16BF3N2O2/c1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16/h5-6H,1-4H3,(H2,17,18)

InChIKey

AHNBKJSRXQDYEO-UHFFFAOYSA-N

Canonic Smiles

FC(c1cc(N)ncc1B1OC(C(O1)(C)C)(C)C)(F)F

Isomeric Smiles

c1c(ncc(c1C(F)(F)F)B1OC(C(O1)(C)C)(C)C)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.1785426

LogD (pH = 7.4)

3.3833191

Log P

3.3867

Molar Refractivity

64.5438

Polarizability

25.40226

Polar Surface Area

57.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine2-Amino-4-(trifluoromethyl)pyridine-5-boronic acid pinacol ester2-氨基-4-(三氟甲基)吡啶-5-硼酸频哪酯5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

IUPAC Traditional name

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

IUPAC name

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

Names and Identifiers

Registration numbers

MDL Number

MFCD12923420

CAS Number

944401-57-4

PubChem SID

162031446