| CAS Number | 885223-66-5 |
| Catalog Number | AG00H45H(AGN-PC-0OLR16) |
| Chemical Name | 3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde |
| IUPAC Name | 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbaldehyde |
| InChI | InChI=1S/C8H7N3O/c1-5-7-2-6(4-12)3-9-8(7)11-10-5/h2-4H,1H3,(H,9,10,11) |
| InChI Key | YMYSKVUFMABIMB-UHFFFAOYSA-N |
| MDL Number | MFCD13195833 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | O=CC1=CN=C(NN=C2C)C2=C1 |
| Synonyms | 3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde,
885223-66-5,
AC1Q2Q6J,
SCHEMBL1600681,
CTK6C3921,
1H-Pyrazolo[3,4-b]pyridine-5-carboxaldehyde, 3-methyl-,
YMYSKVUFMABIMB-UHFFFAOYSA-N,
ZINC38342026,
AKOS022714761,
AKOS030700383,
MCULE-5660131687,
NE42298,
NCGC00324687-01,
DA-01848,
FT-0755220,
EN300-51268,
AB01319811-02,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.164g/mol |
| Monoisotopic Mass | 161.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number