Home Halogens 1H-Pyrazolo[3,4-b]pyridine, 5-bromo-3-methoxy-

1H-Pyrazolo[3,4-b]pyridine, 5-bromo-3-methoxy-

CAS No.:
1363381-82-1
Catalog Number:
AG0011PE
Molecular Formula:
C7H6BrN3O
Molecular Weight:
228.0460
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Product Description
Catalog Number:
AG0011PE
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 5-bromo-3-methoxy-
CAS Number:
1363381-82-1
Molecular Formula:
C7H6BrN3O
Molecular Weight:
228.0460
IUPAC Name:
5-bromo-3-methoxy-1H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C7H6BrN3O/c1-12-7-5-2-4(8)3-9-6(5)10-11-7/h2-3H,1H3,(H,9,10,11)
InChI Key:
JFJIFJQOTNHZRK-UHFFFAOYSA-N
SMILES:
COc1n[nH]c2c1cc(Br)cn2
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.969g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.049g/mol
Monoisotopic Mass:
226.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties