| CAS Number | 1214324-46-5 |
| Catalog Number | AG01AS3X |
| Chemical Name | 2-(pyridin-4-yl)pyridine-4-carbonitrile |
| IUPAC Name | 2-pyridin-4-ylpyridine-4-carbonitrile |
| InChI | InChI=1S/C11H7N3/c12-8-9-1-6-14-11(7-9)10-2-4-13-5-3-10/h1-7H |
| InChI Key | NUUDNXHFWHXFRG-UHFFFAOYSA-N |
| MDL Number | MFCD15475302 |
| Molecular Formula | C11H7N3 |
| Molecular Weight | 181.1934 |
| SMILES | N#CC1=CC(C2=CC=NC=C2)=NC=C1 |
| Synonyms | 1214324-46-5,
[2,4'-bipyridine]-4-carbonitrile,
2-(Pyridin-4-yl)isonicotinonitrile,
ZINC47212674,
AKOS026718865,
2-(pyridin-4-yl)pyridine-4-carbonitrile,
F2167-2470,
2-pyridin-4-ylpyridine-4-carbonitrile,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.198g/mol |
| Monoisotopic Mass | 181.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number