| CAS Number | 1374652-56-8 |
| Catalog Number | AG00A04P(AGN-PC-0WR27E) |
| Chemical Name | 5-Ethynyl-1H-pyrazolo[4,3-b]pyridine |
| IUPAC Name | 5-ethynyl-1H-pyrazolo[4,3-b]pyridine |
| InChI | InChI=1S/C8H5N3/c1-2-6-3-4-7-8(10-6)5-9-11-7/h1,3-5H,(H,9,11) |
| InChI Key | WDMUELCRMSDBAV-UHFFFAOYSA-N |
| MDL Number | MFCD22380512 |
| Molecular Formula | C8H5N3 |
| Molecular Weight | 143.1454 |
| SMILES | C#CC1=CC=C(NN=C2)C2=N1 |
| Synonyms | 5-Ethynyl-1H-pyrazolo[4,3-b]pyridine,
1374652-56-8,
SCHEMBL18297433,
ZX-AT001920,
MFCD22380512,
ZINC94986210,
FCH1616986,
OR62078,
PS-11785,
5-ethynyl-1H-pyrazolo[4,3-b]pyridine, 95% - 1G 1g,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.149g/mol |
| Monoisotopic Mass | 143.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number