3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Name: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SKU: PI329214791
Rating: 5 (1 reviews)

Cat. No.: PI329214791

Product Details Other Identifiers Computed Properties

CAS	329214-79-1
Purity	97%
Molecular Formula	C11H16BNO2
Linear Formula	NC5H4B(O2C2(CH3)4)
Molecular Weight	205.06
Molar Refractivity	60.71

Pubchem ID	2734656
InChI Key	XEMDFESAXKSEGI-UHFFFAOYSA-N
MDL Number	MFCD03084758

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	31.35 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.55
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	1.84
Log Po/w (WLOGP)	1.38
Log Po/w (MLOGP)	0.58
Log Po/w (SILICOS-IT)	1.31
Consensus Log Po/w	1.02
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.24 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.84

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