Home Carboxys 4-hydroxy-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

4-hydroxy-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS No.:
37800-04-7
Catalog Number:
AG01A427
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
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Product Description
Catalog Number:
AG01A427
Chemical Name:
4-hydroxy-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CAS Number:
37800-04-7
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD20647442
IUPAC Name:
1-methyl-4-oxo-7H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H7N3O3/c1-11-7-4(3-10-11)6(12)5(2-9-7)8(13)14/h2-3H,1H3,(H,9,12)(H,13,14)
InChI Key:
KAFMRRZHGGINJG-UHFFFAOYSA-N
SMILES:
Cn1ncc2c1ncc(c2O)C(=O)O
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties