| CAS Number | 163563-17-5 |
| Catalog Number | AG001U7K(AGN-PC-0WNRB2) |
| Chemical Name | 5-[3-(Trifluoromethyl)phenyl]pyridin-2-amine |
| IUPAC Name | 5-[3-(trifluoromethyl)phenyl]pyridin-2-amine |
| InChI | InChI=1S/C12H9F3N2/c13-12(14,15)10-3-1-2-8(6-10)9-4-5-11(16)17-7-9/h1-7H,(H2,16,17) |
| InChI Key | HZNFABRHAXANIU-UHFFFAOYSA-N |
| MDL Number | MFCD06802142 |
| Molecular Formula | C12H9F3N2 |
| Molecular Weight | 238.2085 |
| SMILES | NC1=NC=C(C2=CC(C(F)(F)F)=CC=C2)C=C1 |
| Synonyms | 163563-17-5,
5-[3-(trifluoromethyl)phenyl]pyridin-2-amine,
5-(3-(trifluoromethyl)phenyl)pyridin-2-amine,
5-[3-(Trifluoromethyl)phenyl]-2-pyridinamine,
CTK7D8169,
DTXSID20437233,
MFCD06802142,
ZINC16946513,
AKOS000124543,
MCULE-2395496245,
NE26028,
RL02098,
AJ-69683,
BB 0223190,
2-Amino-5-(3-(trifluoromethyl)phenyl)pyridine,
2-Pyridinamine, 5-[3-(trifluoromethyl)phenyl]-,
J-516604,
Z1483002958,
CID10243267,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.213g/mol |
| Monoisotopic Mass | 238.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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