tert-Butyl 3-Iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate - CAS 1228183-72-9
Catalog: |
BB070907 |
Product Name: |
tert-Butyl 3-Iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
CAS: |
1228183-72-9 |
Synonyms: |
tert-butyl 3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate; tert-Butyl 3-iodo-5-(trifluoromethyl)-1H-pyrrolo-[2,3-b]pyridine-1-carboxylate; tert-butyl 3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 3-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate |
Molecular Weight: | 412.14 |
Molecular Formula: | C13H12N2O2F3I |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C2=C1N=CC(=C2)C(F)(F)F)I |
InChI: | InChI=1S/C13H12F3IN2O2/c1-12(2,3)21-11(20)19-6-9(17)8-4-7(13(14,15)16)5-18-10(8)19/h4-6H,1-3H3 |
InChI Key: | CTOFYYMHNAVHTR-UHFFFAOYSA-N |
Complexity: | 411 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 411.98956 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 411.98956 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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