Free Chemical Databases
-
[Synonyms]
NSC288719
74420-08-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 213.0314 [g/mol] Molecular Formula C7H5BrN2O XLogP -0.8 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 0 Exact Mass 211.958525 MonoIsotopic Mass 211.958525 Topological Polar Surface Area 38.1 Heavy Atom Count 11 Formal Charge 0 Complexity 155 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-bromo-7-hydroxypyrrolo[2,3-b]pyridine
Canonical SMILES: C1=CN(C2=NC=C(C2=C1)Br)O
InChI: InChI=1/C7H5BrN2O/c8-6-4-9-7-5(6)2-1-3-10(7)11/h1-4,11H
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