N-methyl-3-nitro-5-(trifluoromethyl)pyridin-2-amine

N-methyl-3-nitro-5-(trifluoromethyl)pyridin-2-amine

CAS: 175277-21-1

Formula: C7H6F3N3O2

SMILES: CNC1=NC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: N-methyl-3-nitro-5-(trifluoromethyl)pyridin-2-amine

InChI: InChI=1S/C7H6F3N3O2/c1-11-6-5(13(14)15)2-4(3-12-6)7(8,9)10/h2-3H,1H3,(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	UFFBYIGPCGICNB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.7
Topological Polar Surface Area	68.06
Polarizability	15.84
Ring Count	1
Rotatable Bond Count	3

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