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3-bromo-6-methoxy-1H-pyrrolo[2,3-b]pyridine

3-bromo-6-methoxy-1H-pyrrolo[2,3-b]pyridine

CAS: 1190317-52-2

Formula: C8H7BrN2O

SMILES: COC1=CC=C2C(Br)=CNC2=N1

IUPAC: 3-bromo-6-methoxy-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C8H7BrN2O/c1-12-7-3-2-5-6(9)4-10-8(5)11-7/h2-4H,1H3,(H,10,11)

Composition: C (42.32%), H (3.11%), Br (35.19%), N (12.34%), O (7.05%)

Molar Mass: 227.061

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 225.974176
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ISENGFMRAAURKN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.34
Topological Polar Surface Area 37.91
Polarizability 19.32
Ring Count 2
Rotatable Bond Count 1

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