| CAS Number | 1016679-54-1 |
| Catalog Number | AG01C4OV |
| Chemical Name | 6-[(2-Methylpropyl)amino]pyridine-3-carbonitrile |
| IUPAC Name | 6-(2-methylpropylamino)pyridine-3-carbonitrile |
| InChI | InChI=1S/C10H13N3/c1-8(2)6-12-10-4-3-9(5-11)7-13-10/h3-4,7-8H,6H2,1-2H3,(H,12,13) |
| InChI Key | FZUDJJLRXZMZET-UHFFFAOYSA-N |
| MDL Number | MFCD09930386 |
| Molecular Formula | C10H13N3 |
| Molecular Weight | 175.2303 |
| SMILES | CC(CNC1=NC=C(C#N)C=C1)C |
| Synonyms | 6-[(2-methylpropyl)amino]pyridine-3-carbonitrile,
1016679-54-1,
ZINC19429646,
AKOS000170770,
Z219107702,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.235g/mol |
| Monoisotopic Mass | 175.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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