| CAS Number | 338415-40-0 |
| Catalog Number | AG00IXZN(AGN-PC-0WAT0V) |
| Chemical Name | Methyl 3-({2-[3-chloro-5-(trifluoromethyl)-2- pyridinyl]-2-methylhydrazino}carbonyl) isonicotinate |
| IUPAC Name | methyl 3-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]carbamoyl]pyridine-4-carboxylate |
| InChI | InChI=1S/C15H12ClF3N4O3/c1-23(12-11(16)5-8(6-21-12)15(17,18)19)22-13(24)10-7-20-4-3-9(10)14(25)26-2/h3-7H,1-2H3,(H,22,24) |
| InChI Key | TYGQFLGGFSNJMX-UHFFFAOYSA-N |
| MDL Number | MFCD00975038 |
| Molecular Formula | C15H12ClF3N4O3 |
| Molecular Weight | 388.7290 |
| SMILES | ClC1(=C(N=CC(=C1)C(F)(F)F)N(NC(=O)C2(=C(C(=O)OC)C=CN=C2))C) |
| Synonyms | 338415-40-0,
methyl 3-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)isonicotinate,
Methyl 3-{[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylhydrazino]carbonyl}isonicotinate,
methyl 3-{N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methylhydrazinecarbonyl}pyridine-4-carboxylate,
AC1MCQ5Y,
Bionet1_002532,
CTK6J0915,
HMS575K14,
KS-00001VMF,
ZINC2571538,
ZX-AP006213,
MFCD00975038,
PC9401,
AKOS005088787,
MCULE-1418852134,
3M-943,
methyl 3-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]carbamoyl]pyridine-4-carboxylate,
ZINC02571538,
CID2775345,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.731g/mol |
| Monoisotopic Mass | 388.055g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number