6-(methylamino)-4-(trifluoromethyl)pyridin-3-ylboronic acid

6-(methylamino)-4-(trifluoromethyl)pyridin-3-ylboronic acid

Formula: C7H8BF3N2O2

SMILES: CNC1=NC=C(B(O)O)C(=C1)C(F)(F)F

IUPAC: [6-(methylamino)-4-(trifluoromethyl)pyridin-3-yl]boronic acid

InChI: InChI=1S/C7H8BF3N2O2/c1-12-6-2-4(7(9,10)11)5(3-13-6)8(14)15/h2-3,14-15H,1H3,(H,12,13)

Composition: C (38.22%), H (3.67%), B (4.91%), F (25.91%), N (12.74%), O (14.55%)

Molar Mass: 219.96

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.063092
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	DKTWPSKZLACRJW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.93
Topological Polar Surface Area	65.38
Polarizability	16.98
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C7H8BF3N2O2		Quote Only