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

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

CAS: 1073354-79-6

Formula: C11H14BBrClNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC(Br)=CN=C1Cl

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

InChI: InChI=1S/C11H14BBrClNO2/c1-10(2)11(3,4)17-12(16-10)8-5-7(13)6-15-9(8)14/h5-6H,1-4H3

Composition: C (41.50%), H (4.43%), B (3.40%), Br (25.10%), Cl (11.13%), N (4.40%), O (10.05%)

Molar Mass: 318.4

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	316.998949
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QUPNFCNVWLQZBU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.05
Topological Polar Surface Area	31.35
Polarizability	27.91
Ring Count	2
Rotatable Bond Count	1

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