2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine

2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine

CAS: 1150561-61-7

Formula: C13H17BF3NO3

SMILES: COC1=NC=C(C=C1C(F)(F)F)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine

InChI: InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)8-6-9(13(15,16)17)10(19-5)18-7-8/h6-7H,1-5H3

Composition: C (51.52%), H (5.65%), B (3.57%), F (18.80%), N (4.62%), O (15.84%)

Molar Mass: 303.09

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	303.125358
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GNJXUHQYHOJYMP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.31
Topological Polar Surface Area	40.58
Polarizability	26.8
Ring Count	2
Rotatable Bond Count	3

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