| CAS Number | 1393544-93-8 |
| Catalog Number | AG001ATK(AGN-PC-0JK1XA) |
| Chemical Name | Ethyl 3-amino-5-(trifluoromethyl)picolinate |
| IUPAC Name | ethyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C9H9F3N2O2/c1-2-16-8(15)7-6(13)3-5(4-14-7)9(10,11)12/h3-4H,2,13H2,1H3 |
| InChI Key | HINXYOJBEFIJRF-UHFFFAOYSA-N |
| MDL Number | MFCD22544089 |
| Molecular Formula | C9H9F3N2O2 |
| Molecular Weight | 234.1752 |
| SMILES | CCOC(C1=C(N)C=C(C(F)(F)F)C=N1)=O |
| Synonyms | 1393544-93-8,
ETHYL 3-AMINO-5-(TRIFLUOROMETHYL)PICOLINATE,
Ethyl 3-amino-5-(trifluoromethyl)picolinat,
SCHEMBL16456041,
MFCD22544089,
ZINC95764214,
AB77163,
AS-41885,
ETHYL 3-AMINO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLATE,
2-Pyridinecarboxylic acid, 3-amino-5-(trifluoromethyl)-, ethyl ester,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.178g/mol |
| Monoisotopic Mass | 234.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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