| CAS Number | 72600-65-8 |
| Catalog Number | AG0063JD(AGN-PC-0U0ZG1) |
| Chemical Name | 2-Fluoro-5-(trifluoromethyl);pyridin-3-amine |
| IUPAC Name | 2-fluoro-5-(trifluoromethyl)pyridin-3-amine |
| InChI | InChI=1S/C6H4F4N2/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H,11H2 |
| InChI Key | QVCVVVPWXVZZTP-UHFFFAOYSA-N |
| MDL Number | MFCD00042154 |
| Molecular Formula | C6H4ClF3N2 |
| Molecular Weight | 196.5576 |
| SMILES | NC1=NC=C(C=C1Cl)C(F)(F)F |
| Synonyms | 2-Fluoro-5-(trifluoromethyl)pyridin-3-amine,
72600-65-8,
3-AMINO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE,
SCHEMBL11181913,
CTK8B7778,
ANW-58537,
ZINC39340771,
AKOS016003372,
AB70577,
AJ-99924,
TC-147282,
ST24040612,
2-Amino-3-chloro-5-(trifluoromethyl)pyridine,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.106g/mol |
| Monoisotopic Mass | 180.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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