Methyl 3-bromo-1H-pyrazolo[3,4-b]pyridine-5-carboxylate


Chemical Name: Methyl 3-bromo-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CAS Number: 1221288-27-2
Product Number: AG0016T3(AGN-PC-0WADUH)
Synonyms:
MDL No:
Molecular Formula: C8H6BrN3O2
Molecular Weight: 256.0561

Identification/Properties


Computed Properties
Molecular Weight:
256.059g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
254.964g/mol
Monoisotopic Mass:
254.964g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
239
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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