4-nitro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

4-nitro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

CAS: 2007917-56-6

Formula: C8H4F3N3O2

SMILES: [O-][N+](=O)C1=C2C(NC=C2C(F)(F)F)=NC=C1

IUPAC: 4-nitro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C8H4F3N3O2/c9-8(10,11)4-3-13-7-6(4)5(14(15)16)1-2-12-7/h1-3H,(H,12,13)

Composition: C (41.57%), H (1.74%), F (24.66%), N (18.18%), O (13.84%)

Molar Mass: 231.134

Atom Count: 20

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.02556087
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GQRUPHFLMGESHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.23
Topological Polar Surface Area	71.82
Polarizability	17.28
Ring Count	2
Rotatable Bond Count	2

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