| CAS Number | 1016841-67-0 |
| Catalog Number | AG019MX5(AGN-PC-0WOBVS) |
| Chemical Name | 2-(2-Methyl-1H-imidazol-1-yl)pyridine-4-carbonitrile |
| IUPAC Name | 2-(2-methylimidazol-1-yl)pyridine-4-carbonitrile |
| InChI | InChI=1S/C10H8N4/c1-8-12-4-5-14(8)10-6-9(7-11)2-3-13-10/h2-6H,1H3 |
| InChI Key | CZUAYUIAZRJRPC-UHFFFAOYSA-N |
| MDL Number | MFCD09937507 |
| Molecular Formula | C10H8N4 |
| Molecular Weight | 184.1973 |
| SMILES | N#CC1=CC(N2C=CN=C2C)=NC=C1 |
| Synonyms | 2-(2-methyl-1H-imidazol-1-yl)pyridine-4-carbonitrile,
1016841-67-0,
2-(2-methyl-1H-imidazol-1-yl)isonicotinonitrile,
AC1Q2P45,
CTK7C8959,
ZINC19475730,
AKOS000180643,
MCULE-9249049724,
NE27519,
EN300-37575,
F8881-4175,
Z234898095,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.202g/mol |
| Monoisotopic Mass | 184.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number