| CAS Number | 339102-83-9 |
| Catalog Number | AG00IVT3(AGN-PC-0WAWPQ) |
| Chemical Name | 4-(Dimethylamino)-2-(4-iodoanilino)nicotinonitrile |
| IUPAC Name | 4-(dimethylamino)-2-(4-iodoanilino)pyridine-3-carbonitrile |
| InChI | InChI=1S/C14H13IN4/c1-19(2)13-7-8-17-14(12(13)9-16)18-11-5-3-10(15)4-6-11/h3-8H,1-2H3,(H,17,18) |
| InChI Key | ITSBTKCFGGFLPH-UHFFFAOYSA-N |
| MDL Number | MFCD01314739 |
| Molecular Formula | C14H13IN4 |
| Molecular Weight | 364.1843 |
| SMILES | IC2(=CC=C(NC1(=NC=CC(=C1C#N)N(C)C))C=C2) |
| Synonyms | 339102-83-9,
4-(dimethylamino)-2-(4-iodoanilino)nicotinonitrile,
4-(dimethylamino)-2-[(4-iodophenyl)amino]pyridine-3-carbonitrile,
Bionet1_002890,
AC1LSG2O,
HMS576M12,
KS-000020HS,
ZINC36383308,
AKOS005103518,
MCULE-6895417102,
8M-048,
4-(dimethylamino)-2-(4-iodoanilino)pyridine-3-carbonitrile,
CID1487429,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.19g/mol |
| Monoisotopic Mass | 364.018g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number