Home Carboxys 1-(1-cyclopropylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

1-(1-cyclopropylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS No.:
926215-72-7
Catalog Number:
AG01A8KU
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
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Product Description
Catalog Number:
AG01A8KU
Chemical Name:
1-(1-cyclopropylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CAS Number:
926215-72-7
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD09046994
IUPAC Name:
1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C12H13N3O2/c1-7(8-2-3-8)15-11-9(6-14-15)4-10(5-13-11)12(16)17/h4-8H,2-3H2,1H3,(H,16,17)
InChI Key:
VWZIPYZDJWDKQC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)cnn2C(C1CC1)C
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties