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5-bromo-2H-pyrazolo[3,4-b]pyridine

5-bromo-2H-pyrazolo[3,4-b]pyridine

CAS: 875781-17-2

Formula: C6H4BrN3

SMILES: BrC1=CC2=CNN=C2N=C1

IUPAC: 5-bromo-2H-pyrazolo[3,4-b]pyridine

InChI: InChI=1S/C6H4BrN3/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,(H,8,9,10)

Composition: C (36.39%), H (2.04%), Br (40.35%), N (21.22%)

Molar Mass: 198.023

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 196.95886
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BASYLPMLKGQZOG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.86
Topological Polar Surface Area 41.57
Polarizability 15.95
Ring Count 2
Rotatable Bond Count 0

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