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2H-pyrazolo[3,4-b]pyridin-5-ylboronic acid

2H-pyrazolo[3,4-b]pyridin-5-ylboronic acid

CAS: 1417985-25-1

Formula: C6H6BN3O2

SMILES: OB(O)C1=CC2=CNN=C2N=C1

IUPAC: {2H-pyrazolo[3,4-b]pyridin-5-yl}boronic acid

InChI: InChI=1S/C6H6BN3O2/c11-7(12)5-1-4-2-9-10-6(4)8-3-5/h1-3,11-12H,(H,8,9,10)

Composition: C (44.23%), H (3.71%), B (6.63%), N (25.79%), O (19.64%)

Molar Mass: 162.94

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 163.055306
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey JXIUBXRQKVVTPI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.78
Topological Polar Surface Area 82.03
Polarizability 16.32
Ring Count 2
Rotatable Bond Count 1

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