methyl 2-[2-(dimethylamino)ethenyl]-4,6-bis(trifluoromethyl)pyridine-3-carboxylate

methyl 2-[2-(dimethylamino)ethenyl]-4,6-bis(trifluoromethyl)pyridine-3-carboxylate

CAS: 866049-96-9

Formula: C13H12F6N2O2

SMILES: COC(=O)C1=C(C=CN(C)C)N=C(C=C1C(F)(F)F)C(F)(F)F

IUPAC: methyl 2-[2-(dimethylamino)ethenyl]-4,6-bis(trifluoromethyl)pyridine-3-carboxylate

InChI: InChI=1S/C13H12F6N2O2/c1-21(2)5-4-8-10(11(22)23-3)7(12(14,15)16)6-9(20-8)13(17,18)19/h4-6H,1-3H3

Composition: C (45.62%), H (3.53%), F (33.31%), N (8.19%), O (9.35%)

Molar Mass: 342.241

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	342.080296612
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SHTYAWAKKHGPJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.45
Topological Polar Surface Area	42.43
Polarizability	24.89
Ring Count	1
Rotatable Bond Count	6

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	866049-96-9		$51.35-$524.40$51.35$63.37$86.31$524.40