2-chloro-3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-chloro-3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

CAS: 1416367-16-2

Formula: C11H14BClFNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=NC(Cl)=C1F

IUPAC: 2-chloro-3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

InChI: InChI=1S/C11H14BClFNO2/c1-10(2)11(3,4)17-12(16-10)7-5-6-15-9(13)8(7)14/h5-6H,1-4H3

Composition: C (51.31%), H (5.48%), B (4.20%), Cl (13.77%), F (7.38%), N (5.44%), O (12.43%)

Molar Mass: 257.5

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.079015
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XKMPFKIWJXXAIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.64
Topological Polar Surface Area	31.35
Polarizability	24.79
Ring Count	2
Rotatable Bond Count	1

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