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

• ChemBase ID: 801290
• Molecular Formular: C11H16BClN2O2
• Molecular Mass: 254.52094
• Monoisotopic Mass: 254.09933584
• SMILES: CC1(C)OB(OC1(C)C)c1cc(ncc1Cl)N
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cc(N)ncc1Cl
• InChI: InChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-9(14)15-6-8(7)13/h5-6H,1-4H3,(H2,14,15)
• InChIKey: GCMMCHSTEYEXQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC Traditional name: 5-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• Synonyms: 2-AMINO-5-CHLOROPYRIDINE-4-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1222522-38-4

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.021592
• LogD (pH = 7.4): 3.0218961
• Log P: 3.0219
• Molar Refractivity: 63.3749 cm^3
• Polarizability: 26.143913 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%