| CAS Number | 143425-48-3 |
| Catalog Number | AG009X4L(AGN-PC-00OWH2) |
| Chemical Name | 3-(4-Methylphenyl)pyridine-2-carbonitrile |
| IUPAC Name | 3-(4-methylphenyl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C13H10N2/c1-10-4-6-11(7-5-10)12-3-2-8-15-13(12)9-14/h2-8H,1H3 |
| InChI Key | XGQZPSFKHYKYCG-UHFFFAOYSA-N |
| MDL Number | MFCD22586704 |
| Molecular Formula | C13H10N2 |
| Molecular Weight | 194.2319 |
| SMILES | N#Cc1ncccc1c1ccc(cc1)C |
| Synonyms | 143425-48-3,
3-(4-METHYLPHENYL)PYRIDINE-2-CARBONITRILE,
3-(p-Tolyl)picolinonitrile,
2-cyano-3-(4tolyl)pyridine,
2-Cyano-3-(4-tolyl)pyridine,
SCHEMBL7679638,
3-p-Tolylpyridine-2-carbonitrile,
XGQZPSFKHYKYCG-UHFFFAOYSA-N,
2-cyano-3-(4-methylphenyl)pyridine,
KM5769,
ZINC34530771,
2-cyano-3-(4-methylphenyl) pyridine,
CJ-18449,
FT-0752525,
V3249,
2-Pyridinecarbonitrile, 3-(4-methylphenyl)-,
3-p-tolylpicolinonitrile,
C13H10N2,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.237g/mol |
| Monoisotopic Mass | 194.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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