Home Other Building Blocks 2-{2,4,6-trimethyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridin-5-yl}acetic acid

2-{2,4,6-trimethyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridin-5-yl}acetic acid

CAS No.:
1258641-03-0
Catalog Number:
AG01AB7X
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
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Product Description
Catalog Number:
AG01AB7X
Chemical Name:
2-{2,4,6-trimethyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridin-5-yl}acetic acid
CAS Number:
1258641-03-0
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD17977109
IUPAC Name:
2-(2,4,6-trimethyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-5-yl)acetic acid
InChI:
InChI=1S/C11H13N3O3/c1-5-7(4-8(15)16)6(2)12-10-9(5)11(17)14(3)13-10/h4H2,1-3H3,(H,12,13)(H,15,16)
InChI Key:
WPVQJJMDTRCQOR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nc2c(c1C)c(=O)n([nH]2)C
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties