6-(trifluoromethyl)pyridin-3-ylboronic acid

6-(trifluoromethyl)pyridin-3-ylboronic acid

CAS: 868662-36-6

Formula: C6H5BF3NO2

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

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

InChI: InChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H

Composition: C (37.75%), H (2.64%), B (5.66%), F (29.85%), N (7.34%), O (16.76%)

Molar Mass: 190.92

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.036543
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BNTIPMNMTIAWIW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.05
Topological Polar Surface Area	53.35
Polarizability	14.02
Ring Count	1
Rotatable Bond Count	2

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