| CAS Number | 1261365-97-2 |
| Catalog Number | AG000RQL(AGN-PC-0WAO7Z) |
| Chemical Name | 4-Iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
| IUPAC Name | 4-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C8H4F3IN2/c9-8(10,11)5-3-14-7-4(6(5)12)1-2-13-7/h1-3H,(H,13,14) |
| InChI Key | GYRRXQBOUNXNLU-UHFFFAOYSA-N |
| MDL Number | MFCD18374138 |
| Molecular Formula | C8H4F3IN2 |
| Molecular Weight | 312.0304 |
| SMILES | FC(c1cnc2c(c1I)cc[nH]2)(F)F |
| Synonyms | 4-Iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine,
1261365-97-2,
AC1Q4JFB,
CTK4B4977,
DTXSID50679129,
MFCD18374138,
ZINC66054328,
AKOS015853711,
CJ-21235,
TR-035546,
CS-0082393,
FT-0682880,
Z9051,
A-6322,
I02-4856,
4-Iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine, AldrichCPR,
C8H4F3IN2,
GYRRXQBOUNXNLU-UHFFFAOYSA-N,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.034g/mol |
| Monoisotopic Mass | 311.937g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H319
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number