Home Boronic acids 3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-boronic acid pinacol ester

3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-boronic acid pinacol ester

CAS No.:
1111637-76-3
Catalog Number:
AG0095TS
Molecular Formula:
C13H18BN3O2
Molecular Weight:
259.1119
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Product Description
Catalog Number:
AG0095TS
Chemical Name:
3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-boronic acid pinacol ester
CAS Number:
1111637-76-3
Molecular Formula:
C13H18BN3O2
Molecular Weight:
259.1119
MDL Number:
MFCD12923385
IUPAC Name:
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C13H18BN3O2/c1-8-10-6-9(7-15-11(10)17-16-8)14-18-12(2,3)13(4,5)19-14/h6-7H,1-5H3,(H,15,16,17)
InChI Key:
SVAUMAQWCPBSDF-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1cc(cn2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.149g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.116g/mol
Monoisotopic Mass:
259.149g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties