| CAS Number | 1342405-19-9 |
| Catalog Number | AG01B2AM |
| Chemical Name | 4-(1H-Pyrazol-1-yl)pyridine-2-carbonitrile |
| IUPAC Name | 4-pyrazol-1-ylpyridine-2-carbonitrile |
| InChI | InChI=1S/C9H6N4/c10-7-8-6-9(2-4-11-8)13-5-1-3-12-13/h1-6H |
| InChI Key | JYPCINDTZPUOQT-UHFFFAOYSA-N |
| MDL Number | MFCD17252673 |
| Molecular Formula | C9H6N4 |
| Molecular Weight | 170.1707 |
| SMILES | N#CC1=NC=CC(N2N=CC=C2)=C1 |
| Synonyms | 4-(1H-pyrazol-1-yl)pyridine-2-carbonitrile,
1342405-19-9,
ZINC61815227,
AKOS012234996,
Z2472860098,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.175g/mol |
| Monoisotopic Mass | 170.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number