| CAS Number | 929975-85-9 |
| Catalog Number | AG019KIC |
| Chemical Name | 1-benzyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid |
| IUPAC Name | 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C14H11N3O2/c18-14(19)12-6-11-8-16-17(13(11)15-7-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) |
| InChI Key | AGYISJXWVIAJSA-UHFFFAOYSA-N |
| MDL Number | MFCD09040497 |
| Molecular Formula | C14H11N3O2 |
| Molecular Weight | 253.2560 |
| SMILES | OC(C1=CC2=C(N(N=C2)CC2=CC=CC=C2)N=C1)=O |
| Synonyms | 1-benzyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid,
929975-85-9,
AC1Q73T0,
CTK7J0549,
ZINC12505344,
AKOS009117892,
MCULE-8440945252,
NE38482,
EN300-27064,
Z235333737,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.261g/mol |
| Monoisotopic Mass | 253.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number