Home Carboxys 1,3-dimethyl-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

1,3-dimethyl-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

CAS No.:
893645-77-7
Catalog Number:
AG00JE6A
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
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Product Description
Catalog Number:
AG00JE6A
Chemical Name:
1,3-dimethyl-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CAS Number:
893645-77-7
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
MDL Number:
MFCD08558202
IUPAC Name:
1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H11N3O2S/c1-7-11-8(13(17)18)6-9(10-4-3-5-19-10)14-12(11)16(2)15-7/h3-6H,1-2H3,(H,17,18)
InChI Key:
SFWLLQXTTFBYMQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1c(C)nn2C)c1cccs1
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties