5-nitro-3-(trifluoromethyl)pyridine-2-carbonitrile

5-nitro-3-(trifluoromethyl)pyridine-2-carbonitrile

CAS: 573762-57-9

Formula: C7H2F3N3O2

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

IUPAC: 5-nitro-3-(trifluoromethyl)pyridine-2-carbonitrile

InChI: InChI=1S/C7H2F3N3O2/c8-7(9,10)5-1-4(13(14)15)3-12-6(5)2-11/h1,3H

Composition: C (38.73%), H (0.93%), F (26.25%), N (19.35%), O (14.74%)

Molar Mass: 217.107

Atom Count: 17

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.009910805
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IDGUNYFTVCEPGA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.54
Topological Polar Surface Area	79.82
Polarizability	14.78
Ring Count	1
Rotatable Bond Count	2

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