2-bromo-3-nitro-6-(trifluoromethyl)pyridine

2-bromo-3-nitro-6-(trifluoromethyl)pyridine

CAS: 1805028-82-3

Formula: C6H2BrF3N2O2

SMILES: [O-][N+](=O)C1=CC=C(N=C1Br)C(F)(F)F

IUPAC: 2-bromo-3-nitro-6-(trifluoromethyl)pyridine

InChI: InChI=1S/C6H2BrF3N2O2/c7-5-3(12(13)14)1-2-4(11-5)6(8,9)10/h1-2H

Composition: C (26.59%), H (0.74%), Br (29.49%), F (21.03%), N (10.34%), O (11.81%)

Molar Mass: 270.993

Atom Count: 16

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.925175
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CIRFMPZJWYRUBA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.29
Topological Polar Surface Area	56.03
Polarizability	16.22
Ring Count	1
Rotatable Bond Count	2

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