3-(aminomethyl)-4-(trifluoromethyl)pyridin-1-ium-1-olate

3-(aminomethyl)-4-(trifluoromethyl)pyridin-1-ium-1-olate

Formula: C7H7F3N2O

SMILES: NCC1=C(C=C[N+]([O-])=C1)C(F)(F)F

IUPAC: 3-(aminomethyl)-4-(trifluoromethyl)pyridin-1-ium-1-olate

InChI: InChI=1S/C7H7F3N2O/c8-7(9,10)6-1-2-12(13)4-5(6)3-11/h1-2,4H,3,11H2

Composition: C (43.76%), H (3.67%), F (29.66%), N (14.58%), O (8.33%)

Molar Mass: 192.141

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.051047342
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UWKFOLKCXQGJMI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.66
Topological Polar Surface Area	52.96
Polarizability	14.59
Ring Count	1
Rotatable Bond Count	2

Suppliers

LabNetwork INC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	1 Day	C7H7F3N2O		$353.81-$3,538.08$353.81$589.68$1,179.36$3,538.08