| CAS Number | 1171919-20-2 |
| Catalog Number | AG00HDUP(AGN-PC-0WAZHA) |
| Chemical Name | 5-Bromo-6-methyl-2-(methylamino)-4-(trifluoromethyl)nicotinonitrile |
| IUPAC Name | 5-bromo-6-methyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C9H7BrF3N3/c1-4-7(10)6(9(11,12)13)5(3-14)8(15-2)16-4/h1-2H3,(H,15,16) |
| InChI Key | VNCYUYFAHHYDTD-UHFFFAOYSA-N |
| MDL Number | MFCD12498720 |
| Molecular Formula | C9H7BrF3N3 |
| Molecular Weight | 294.0712 |
| SMILES | [Br]C1(=C(C(C#N)=C(NC)N=C1C)C(F)(F)F) |
| Synonyms | 5-bromo-6-methyl-2-(methylamino)-4-(trifluoromethyl)nicotinonitrile,
1171919-20-2,
5-bromo-6-methyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile,
CTK6I4991,
KS-00001Q3J,
ZX-RL000063,
MFCD12498720,
ZINC40566618,
AKOS005072528,
FD-0740,
MCULE-7335864714,
RP15885,
PC200206,
AJ-103602,
TR-064796,
bromomethylmethylaminotrifluoromethylnicotinonitrile,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.075g/mol |
| Monoisotopic Mass | 292.978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number