2-bromo-6-(trifluoromethyl)pyridin-3-ylboronic acid

2-bromo-6-(trifluoromethyl)pyridin-3-ylboronic acid

Formula: C6H4BBrF3NO2

SMILES: OB(O)C1=C(Br)N=C(C=C1)C(F)(F)F

IUPAC: [2-bromo-6-(trifluoromethyl)pyridin-3-yl]boronic acid

InChI: InChI=1S/C6H4BBrF3NO2/c8-5-3(7(13)14)1-2-4(12-5)6(9,10)11/h1-2,13-14H

Composition: C (26.71%), H (1.49%), B (4.01%), Br (29.61%), F (21.12%), N (5.19%), O (11.86%)

Molar Mass: 269.81

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	268.947056
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JOILGSAIOVLPNJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.51
Topological Polar Surface Area	53.35
Polarizability	17.28
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C6H4BBrF3NO2		Quote Only