Home Carboxys 1-(butan-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

1-(butan-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

CAS No.:
934106-80-6
Catalog Number:
AG01A8S8
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
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Product Description
Catalog Number:
AG01A8S8
Chemical Name:
1-(butan-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CAS Number:
934106-80-6
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD06805330
IUPAC Name:
1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C12H15N3O2/c1-4-8(3)15-11-10(6-13-15)9(12(16)17)5-7(2)14-11/h5-6,8H,4H2,1-3H3,(H,16,17)
InChI Key:
IQLFFGJLHQSXST-UHFFFAOYSA-N
SMILES:
CCC(n1ncc2c1nc(C)cc2C(=O)O)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties