6-chloro-5-(trifluoromethyl)pyridin-3-ylboronic acid

6-chloro-5-(trifluoromethyl)pyridin-3-ylboronic acid

Formula: C6H4BClF3NO2

SMILES: OB(O)C1=CC(=C(Cl)N=C1)C(F)(F)F

IUPAC: [6-chloro-5-(trifluoromethyl)pyridin-3-yl]boronic acid

InChI: InChI=1S/C6H4BClF3NO2/c8-5-4(6(9,10)11)1-3(2-12-5)7(13)14/h1-2,13-14H

Composition: C (31.98%), H (1.79%), B (4.80%), Cl (15.73%), F (25.29%), N (6.22%), O (14.20%)

Molar Mass: 225.36

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.997571
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GSOLWICWOIAQAW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.29
Topological Polar Surface Area	53.35
Polarizability	16.1
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C6H4BClF3NO2		Quote Only