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5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine

CAS: 1111637-94-5

Formula: C8H7BrN2

SMILES: CC1=CNC2=NC=C(Br)C=C12

IUPAC: 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C8H7BrN2/c1-5-3-10-8-7(5)2-6(9)4-11-8/h2-4H,1H3,(H,10,11)

Composition: C (45.53%), H (3.34%), Br (37.86%), N (13.27%)

Molar Mass: 211.062

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 209.979261
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey KFXLHKPTNMYOLR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.6
Topological Polar Surface Area 28.68
Polarizability 18.5
Ring Count 2
Rotatable Bond Count 0

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