2-chloro-5-(trifluoromethyl)pyridin-4-ylboronic acid

2-chloro-5-(trifluoromethyl)pyridin-4-ylboronic acid

CAS: 1167437-28-6

Formula: C6H4BClF3NO2

SMILES: OB(O)C1=CC(Cl)=NC=C1C(F)(F)F

IUPAC: [2-chloro-5-(trifluoromethyl)pyridin-4-yl]boronic acid

InChI: InChI=1S/C6H4BClF3NO2/c8-5-1-4(7(13)14)3(2-12-5)6(9,10)11/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	GBNMDZQANRHEDY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.29
Topological Polar Surface Area	53.35
Polarizability	16.09
Ring Count	1
Rotatable Bond Count	2

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