Home Carboxys 1-ethyl-6-thien-2-yl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

1-ethyl-6-thien-2-yl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

CAS No.:
923919-56-6
Catalog Number:
AG00IH4H
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
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Product Description
Catalog Number:
AG00IH4H
Chemical Name:
1-ethyl-6-thien-2-yl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CAS Number:
923919-56-6
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
MDL Number:
MFCD08691168
IUPAC Name:
1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H11N3O2S/c1-2-16-12-9(7-14-16)8(13(17)18)6-10(15-12)11-4-3-5-19-11/h3-7H,2H2,1H3,(H,17,18)
InChI Key:
AWKKEYUBBIRCFI-UHFFFAOYSA-N
SMILES:
CCn1ncc2c1nc(cc2C(=O)O)c1cccs1
Properties
Complexity:
355  
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:
3  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties