| CAS Number | 158020-84-9 |
| Catalog Number | AG001PXD(AGN-PC-02D9X5) |
| Chemical Name | 2-(1H-imidazol-1-yl)pyridine-4-carbonitrile |
| IUPAC Name | 2-imidazol-1-ylpyridine-4-carbonitrile |
| InChI | InChI=1S/C9H6N4/c10-6-8-1-2-12-9(5-8)13-4-3-11-7-13/h1-5,7H |
| InChI Key | CMVWKPYQUABASZ-UHFFFAOYSA-N |
| MDL Number | MFCD09929166 |
| Molecular Formula | C9H6N4 |
| Molecular Weight | 170.1707 |
| SMILES | N#CC1=CC(N2C=NC=C2)=NC=C1 |
| Synonyms | 2-(1H-imidazol-1-yl)isonicotinonitrile,
158020-84-9,
2-(1H-imidazol-1-yl)pyridine-4-carbonitrile,
AC1Q4R2E,
SCHEMBL4395061,
DTXSID30598788,
CMVWKPYQUABASZ-UHFFFAOYSA-N,
2-(1-imidazolyl)-4-cyanopyridine,
MFCD09929166,
ZINC19426418,
AKOS000166815,
MCULE-1740088965,
NE14621,
RL02031,
AJ-73439,
EN300-72480,
4-Pyridinecarbonitrile, 2-(1H-imidazol-1-yl)-,
J-505348,
F8880-1478,
Z1259273232,
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| 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 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number