Name: N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
SMILES:
O=C(Nc1c[nH]c2ncc(Br)c(F)c12)c1ncccn1Molecular Processing
Molecular formula
C12H7BrFN5O
Molecular weight
336.12
Exact mass
334.9818
XLogP
2.51
TPSA
83.56
H-bond donors
2
H-bond acceptors
4
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
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
73.74
Supplementary Information
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