5-Bromo-1H-pyrazolo[3,4-b]pyridine-3-carbaldehyde


Chemical Name: 5-Bromo-1H-pyrazolo[3,4-b]pyridine-3-carbaldehyde
CAS Number: 916326-37-9
Product Number: AG00IGSX(AGN-PC-0WAMJ2)
Synonyms:
MDL No: MFCD11100580
Molecular Formula: C7H4BrN3O
Molecular Weight: 226.0302

Identification/Properties


Computed Properties
Molecular Weight:
226.033g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
224.954g/mol
Monoisotopic Mass:
224.954g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
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

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NMR Spectrum


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