Home Carboxys 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 1-methyl-

1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 1-methyl-

CAS No.:
116855-09-5
Catalog Number:
AG000DBE
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
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Product Description
Catalog Number:
AG000DBE
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 1-methyl-
CAS Number:
116855-09-5
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
1-methylpyrazolo[3,4-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-11-7-5(3-2-4-9-7)6(10-11)8(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
WEZYUZRHWLFJDN-UHFFFAOYSA-N
SMILES:
Cn1nc(c2c1nccc2)C(=O)O
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties