1-Boc-3-iodo-7-azaindole - CAS 192189-18-7
Catalog: |
BB014859 |
Product Name: |
1-Boc-3-iodo-7-azaindole |
CAS: |
192189-18-7 |
Synonyms: |
3-iodo-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester; tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate |
Description: | 1-Boc-3-iodo-7-azaindole (CAS# 192189-18-7) is a useful research chemical. |
Molecular Weight: | 344.15 |
Molecular Formula: | C12H13IN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)I |
InChI: | InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-7-9(13)8-5-4-6-14-10(8)15/h4-7H,1-3H3 |
InChI Key: | YNWXYUIDHAWPLF-UHFFFAOYSA-N |
Boiling Point: | 397.3 °C at 760 mmHg |
Density: | 1.65 g/cm3 |
MDL: | MFCD08741526 |
LogP: | 3.42410 |
Publication Number | Title | Priority Date |
AU-2015277786-B2 | Heteroaryl compounds for kinase inhibition | 20140619 |
AU-2019206024-A1 | Heteroaryl compounds for kinase inhibition | 20140619 |
CA-2949793-A1 | Heteroaryl compounds for kinase inhibition | 20140619 |
EP-3157916-B1 | Heteroaryl compounds for kinase inhibition | 20140619 |
EP-3409669-A1 | Heteroaryl compounds for kinase inhibition | 20140619 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 344.00218 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 344.00218 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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