| CAS Number | 19743-72-7 |
| Catalog Number | AG00I3LR(AGN-PC-0WNNDK) |
| Chemical Name | 1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid |
| IUPAC Name | 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C9H9N3O2/c1-5-7-3-6(9(13)14)4-10-8(7)12(2)11-5/h3-4H,1-2H3,(H,13,14) |
| InChI Key | NMGFHFUUCGHRIZ-UHFFFAOYSA-N |
| MDL Number | MFCD09040553 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| SMILES | CC1C2=C(N=CC(C(O)=O)=C2)N(C)N=1 |
| Synonyms | 1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid,
19743-72-7,
1,3-Dimethyl-1H-pyrazolo-[3,4-b]pyridine-5-carboxylic acid,
AC1Q409J,
SCHEMBL5070874,
CTK7J0523,
NMGFHFUUCGHRIZ-UHFFFAOYSA-N,
MFCD09040553,
ZINC12505414,
AKOS000140587,
MCULE-7232125533,
PB10646,
AS-50599,
CS-0055238,
EN300-27225,
Q-1969,
Z235344349,
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| Complexity | 246 |
| 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 | 1 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number