C1=CC2=CC(=NC=C2C(=C1)Br)NC3=NC=C(N=C3)C#N
Nombre: 5-[(8-bromoisoquinolin-3-yl)amino]pyrazine-2-carbonitrile
SMILES: C1=CC2=CC(=NC=C2C(=C1)Br)NC3=NC=C(N=C3)C#N

Molecular Processing

Molecular formula
C14H8BrN5
Molecular weight
326.16
Exact mass
324.9963
XLogP
3.4
TPSA
74.49
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
79.47

Supplementary Information

InChIKey: AUDGXVASOIBIFC-UHFFFAOYSA-N
Sinónimos
SCHEMBL1396975AUDGXVASOIBIFC-UHFFFAOYSA-N5-(8-Bromoisoquinolin-3-ylamino)pyrazine-2-carbonitrile
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