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20481-15-6 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-1,3-dimethyl-, ethyl ester
CAS No: 20481-15-6 Catalog No: AG0029PH MDL No:MFCD00067954
Product Description
Catalog Number:
AG0029PH
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-1,3-dimethyl-, ethyl ester
CAS Number:
20481-15-6
Molecular Formula:
C11H12ClN3O2
Molecular Weight:
253.6849
MDL Number:
MFCD00067954
IUPAC Name:
ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
InChI:
InChI=1S/C11H12ClN3O2/c1-4-17-11(16)7-5-13-10-8(9(7)12)6(2)14-15(10)3/h5H,4H2,1-3H3
InChI Key:
QJXXEUYFFZWYCX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)c(C)nn2C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.686g/mol
Monoisotopic Mass:
253.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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