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Home Halogens Ethyl 4-chloro-1-methyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylate

Ethyl 4-chloro-1-methyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylate

CAS No.:
37801-57-3
Catalog Number:
AG0077RX
Molecular Formula:
C10H10ClN3O2
Molecular Weight:
239.6583
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Product Description
Catalog Number:
AG0077RX
Chemical Name:
Ethyl 4-chloro-1-methyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylate
CAS Number:
37801-57-3
Molecular Formula:
C10H10ClN3O2
Molecular Weight:
239.6583
MDL Number:
MFCD03012939
IUPAC Name:
ethyl 4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
InChI:
InChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-12-9-6(8(7)11)5-13-14(9)2/h4-5H,3H2,1-2H3
InChI Key:
ILWRYGALHSASQT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)cnn2C
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.659g/mol
Monoisotopic Mass:
239.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties