Home Carboxys 5-(1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxylic acid

5-(1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxylic acid

CAS No.:
658695-85-3
Catalog Number:
AG00FFP5
Molecular Formula:
C11H8N4O2
Molecular Weight:
228.2068
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Product Description
Catalog Number:
AG00FFP5
Chemical Name:
5-(1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxylic acid
CAS Number:
658695-85-3
Molecular Formula:
C11H8N4O2
Molecular Weight:
228.2068
MDL Number:
MFCD28978613
IUPAC Name:
5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C11H8N4O2/c16-11(17)6-4-8(13-5-6)9-7-2-1-3-12-10(7)15-14-9/h1-5,13H,(H,16,17)(H,12,14,15)
InChI Key:
SXXZQEFCLXGQEU-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c(c1)c1[nH]nc2c1cccn2
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.065g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.211g/mol
Monoisotopic Mass:
228.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties