| CAS Number | 865815-72-1 |
| Catalog Number | AG018RVT(AGN-PC-0OKHP1) |
| Chemical Name | 3-(pyridin-2-yl)-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 3-pyridin-2-yl-1H-pyrazole-5-carbaldehyde |
| InChI | InChI=1S/C9H7N3O/c13-6-7-5-9(12-11-7)8-3-1-2-4-10-8/h1-6H,(H,11,12) |
| InChI Key | BWGGGEBEZJGPHF-UHFFFAOYSA-N |
| MDL Number | MFCD22378797 |
| Molecular Formula | C9H7N3O |
| Molecular Weight | 173.1714 |
| SMILES | O=CC1NN=C(C2=NC=CC=C2)C=1 |
| Synonyms | 865815-72-1,
5-(pyridin-2-yl)-1H-pyrazole-3-carbaldehyde,
3-(pyridin-2-yl)-1H-pyrazole-5-carbaldehyde,
1H-Pyrazole-3-carboxaldehyde, 5-(2-pyridinyl)-,
SCHEMBL14438946,
ZINC20443928,
AKOS011391215,
AKOS022710289,
NE53187,
5-pyridin-2-yl-1H-pyrazole-3-carbaldehyde,
F8881-1023,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.175g/mol |
| Monoisotopic Mass | 173.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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