| CAS Number | 1185287-60-8 |
| Catalog Number | AG00J39K(AGN-PC-0WB843) |
| Chemical Name | 1-Benzyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid |
| IUPAC Name | 1-benzylpyrazolo[3,4-b]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C14H11N3O2/c18-14(19)12-11-7-4-8-15-13(11)17(16-12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19) |
| InChI Key | QLDNIXIDTPFIOV-UHFFFAOYSA-N |
| MDL Number | MFCD22107914 |
| Molecular Formula | C14H11N3O2 |
| Molecular Weight | 253.2560 |
| SMILES | C1(C(O)=O)C2=CC=CN=C2N(CC2C=CC=CC=2)N=1 |
| Synonyms | 1-benzyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid,
1185287-60-8,
SCHEMBL1216684,
QLDNIXIDTPFIOV-UHFFFAOYSA-N,
ZX-CM014103,
MFCD22107914,
ZINC82822388,
AKOS022898297,
FCH2875367,
|
| 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 | 2.3 |
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Certificate of Analysis
Lot Number