| CAS Number | 1255099-01-4 |
| Catalog Number | AG000NRL(AGN-PC-0WCL0X) |
| Chemical Name | 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine |
| IUPAC Name | 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine |
| InChI | InChI=1S/C8H6F3N3/c9-8(10,11)4-3-14-7-6(4)5(12)1-2-13-7/h1-3H,(H3,12,13,14) |
| InChI Key | QAOSKLQQKZHYHD-UHFFFAOYSA-N |
| MDL Number | MFCD17926469 |
| Molecular Formula | C8H6F3N3 |
| Molecular Weight | 201.1485 |
| SMILES | NC1=C2C(NC=C2C(F)(F)F)=NC=C1 |
| Synonyms | 1255099-01-4,
4-Amino-3-(trifluoromethyl)-7-azaindole,
3-(TRIFLUOROMETHYL)-1H-PYRROLO[2,3-B]PYRIDIN-4-AMINE,
3-TRIFLUOROMETHYL-4-AMINOPYRROLO[2,3-B]PYRIDINE,
DTXSID70857220,
KS-000007QF,
MFCD17926469,
ZINC66055257,
AKOS025403411,
FCH1362302,
PB33406,
AK184650,
AS-38568,
CS-0051650,
Q-3046,
1H-Pyrrolo[2,3-b]pyridin-4-amine, 3-(trifluoromethyl)-,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.152g/mol |
| Monoisotopic Mass | 201.051g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number