3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine

3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine

CAS: 1022146-52-6

Formula: C7H6F3N3O2

SMILES: [O-][N+](=O)C1=CC=CN=C1NCC(F)(F)F

IUPAC: 3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine

InChI: InChI=1S/C7H6F3N3O2/c8-7(9,10)4-12-6-5(13(14)15)2-1-3-11-6/h1-3H,4H2,(H,11,12)

Composition: C (38.02%), H (2.73%), F (25.77%), N (19.00%), O (14.47%)

Molar Mass: 221.139

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.041210934
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DXGGJMCXBDJUBU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.18
Topological Polar Surface Area	68.06
Polarizability	15.86
Ring Count	1
Rotatable Bond Count	4

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95%	<5 Days	1022146-52-6		$1,108.00-$2,860.00$1,108.00$1,540.00$2,860.00