CC(C1=C(C=C2C(=N1)C=CN2C)Br)N
CAS: 1537208-12-0
Nombre: (1S)-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-5-yl)ethanamine
SMILES: CC(C1=C(C=C2C(=N1)C=CN2C)Br)N

Molecular Processing

Molecular formula
C10H12BrN3
Molecular weight
254.13
Exact mass
253.0215
XLogP
2.36
TPSA
43.84
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
61.02

Supplementary Information

InChIKey: UTURCBLXOVRHBL-LURJTMIESA-N
Sinónimos
1537208-12-0SCHEMBL15411861UTURCBLXOVRHBL-LURJTMIESA-N1H-Pyrrolo[3,2-b]pyridine-5-methanamine, 6-bromo-.alpha.,1-dimethyl-, (.alpha.S)-(S)-1-(6-Bromo-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethan-1-amine(S)-1-(6-Bromo-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanamine
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