C1=CC=C(C=C1)C2=C(N=CC(=C2)[N+](=O)[O-])Br
Name: 2-bromo-5-nitro-3-phenylpyridine
SMILES: C1=CC=C(C=C1)C2=C(N=CC(=C2)[N+](=O)[O-])Br

Molecular Processing

Molecular formula
C11H7BrN2O2
Molecular weight
279.09
Exact mass
277.9691
XLogP
3.42
TPSA
56.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
64.03

Supplementary Information

InChIKey: VRBVDHNPLIHPRE-UHFFFAOYSA-N
Synonyme
SCHEMBL2406691VRBVDHNPLIHPRE-UHFFFAOYSA-N2-Bromo-5-nitro-3-phenylpyridine
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