| CAS Number | 1033750-40-1 |
| Catalog Number | AG01ACMN(AGN-PC-0WOC79) |
| Chemical Name | 6-(propan-2-yl)pyridine-3-carbonitrile |
| IUPAC Name | 6-propan-2-ylpyridine-3-carbonitrile |
| InChI | InChI=1S/C9H10N2/c1-7(2)9-4-3-8(5-10)6-11-9/h3-4,6-7H,1-2H3 |
| InChI Key | WQQWILUEFPROIB-UHFFFAOYSA-N |
| MDL Number | MFCD18256041 |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.1891 |
| SMILES | CC(C1=NC=C(C#N)C=C1)C |
| Synonyms | 6-Isopropylnicotinonitrile,
1033750-40-1,
6-(propan-2-yl)pyridine-3-carbonitrile,
6-iso-propyl-3-cyano-pyridine,
SCHEMBL2737290,
ZINC82408954,
AKOS022717792,
MCULE-5890709481,
NE35846,
Z1704693923,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.193g/mol |
| Monoisotopic Mass | 146.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number