| CAS Number | 501378-98-9 |
| Catalog Number | AG01AJOU(AGN-PC-0WO9T1) |
| Chemical Name | 6-(1H-pyrazol-1-yl)pyridine-2-carbonitrile |
| IUPAC Name | 6-pyrazol-1-ylpyridine-2-carbonitrile |
| InChI | InChI=1S/C9H6N4/c10-7-8-3-1-4-9(12-8)13-6-2-5-11-13/h1-6H |
| InChI Key | BLXJHROZIGSIQS-UHFFFAOYSA-N |
| MDL Number | MFCD19686301 |
| Molecular Formula | C9H6N4 |
| Molecular Weight | 170.1707 |
| SMILES | N#CC1=NC(N2N=CC=C2)=CC=C1 |
| Synonyms | 6-(1H-pyrazol-1-yl)pyridine-2-carbonitrile,
501378-98-9,
SCHEMBL2952613,
BLXJHROZIGSIQS-UHFFFAOYSA-N,
ZINC68576293,
AKOS013757858,
MCULE-3850843736,
NE16539,
6-(Pyrazol-1-yl)-2-pyridinecarbonitrile,
EN300-81597,
F8881-0310,
|
| 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 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number