Home Other Building Blocks 1H-PYRAZOLO[3,4-C]PYRIDINE-7-CARBOXYLIC ACID, ETHYL ESTER

1H-PYRAZOLO[3,4-C]PYRIDINE-7-CARBOXYLIC ACID, ETHYL ESTER

CAS No.:
945840-81-3
Catalog Number:
AG01E3M8
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
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Product Description
Catalog Number:
AG01E3M8
Chemical Name:
1H-PYRAZOLO[3,4-C]PYRIDINE-7-CARBOXYLIC ACID, ETHYL ESTER
CAS Number:
945840-81-3
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD27964870
IUPAC Name:
ethyl 1H-pyrazolo[3,4-c]pyridine-7-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-2-14-9(13)8-7-6(3-4-10-8)5-11-12-7/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
LLOSAZKELZMYKM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nccc2c1[nH]nc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties