Cc1nc(N)c([N+](=O)[O-])c(C)c1Br
Name: 5-bromo-4,6-dimethyl-3-nitro-2-pyridinylamine
SMILES: Cc1nc(N)c([N+](=O)[O-])c(C)c1Br

Molecular Processing

Molecular formula
C7H8BrN3O2
Molecular weight
246.06
Exact mass
244.98
XLogP
1.95
TPSA
82.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
52.48

Supplementary Information

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