Home Carboxys 4-Chloro-1-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

4-Chloro-1-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS No.:
675111-88-3
Catalog Number:
AG00FH00
Molecular Formula:
C8H6ClN3O2
Molecular Weight:
211.6051
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Product Description
Catalog Number:
AG00FH00
Chemical Name:
4-Chloro-1-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CAS Number:
675111-88-3
Molecular Formula:
C8H6ClN3O2
Molecular Weight:
211.6051
MDL Number:
MFCD13193584
IUPAC Name:
4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H6ClN3O2/c1-12-7-4(3-11-12)6(9)5(2-10-7)8(13)14/h2-3H,1H3,(H,13,14)
InChI Key:
ORQOQCPMNZFHHO-UHFFFAOYSA-N
SMILES:
Cn1ncc2c1ncc(c2Cl)C(=O)O
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.605g/mol
Monoisotopic Mass:
211.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties