| CAS Number | 1217486-73-1 |
| Catalog Number | AG00HGCY(AGN-PC-0WB2PT) |
| Chemical Name | 2-(4-Iodopyridin-2-Yl)-2-Methylpropanenitrile |
| IUPAC Name | 2-(4-iodopyridin-2-yl)-2-methylpropanenitrile |
| InChI | InChI=1S/C9H9IN2/c1-9(2,6-11)8-5-7(10)3-4-12-8/h3-5H,1-2H3 |
| InChI Key | SUMBUMBXFZFCCY-UHFFFAOYSA-N |
| MDL Number | MFCD22575061 |
| Molecular Formula | C9H9IN2 |
| Molecular Weight | 272.0856 |
| SMILES | CC(C1=NC=CC(I)=C1)(C#N)C |
| Synonyms | 2-(4-iodopyridin-2-yl)-2-methylpropanenitrile,
1217486-73-1,
2-(4-iodo-pyridin-2-yl)-2-methyl-propionitrile,
C9H9IN2,
SCHEMBL1937903,
SUMBUMBXFZFCCY-UHFFFAOYSA-N,
KS-00002B8X,
ZX-RL000667,
1246AD,
MFCD22575061,
ZINC91294565,
AKOS015996954,
FCH2294211,
MCULE-8683984871,
SS-4529,
OR303165,
2-(4-iodo-2-pyridyl)-2-methyl-propanenitrile,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.089g/mol |
| Monoisotopic Mass | 271.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number