| CAS Number | 866775-17-9 |
| Catalog Number | AG00H322(AGN-PC-0COA5C) |
| Chemical Name | 3-Amino-5-trifluoromethyl-pyridine-2-carboxylic acid methyl ester |
| IUPAC Name | methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C8H7F3N2O2/c1-15-7(14)6-5(12)2-4(3-13-6)8(9,10)11/h2-3H,12H2,1H3 |
| InChI Key | RPBPQAHDCODVNJ-UHFFFAOYSA-N |
| MDL Number | MFCD18259060 |
| Molecular Formula | C8H7F3N2O2 |
| Molecular Weight | 220.1486 |
| SMILES | NC=1C(=NC=C(C1)C(F)(F)F)C(=O)OC |
| Synonyms | 866775-17-9,
METHYL 3-AMINO-5-(TRIFLUOROMETHYL)PICOLINATE,
3-Amino-5-trifluoromethyl-pyridine-2-carboxylic acid methyl ester,
Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate,
SCHEMBL2373041,
DTXSID40730718,
RPBPQAHDCODVNJ-UHFFFAOYSA-N,
4248AJ,
MFCD18259060,
ZINC84312946,
AKOS023413076,
NE64605,
AS-41905,
Z2755724153,
2-Pyridinecarboxylic acid, 3-amino-5-(trifluoromethyl)-, methyl ester,
C8H7F3N2O2,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.151g/mol |
| Monoisotopic Mass | 220.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number