1-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trichloroethanone - CAS 1379670-84-4
Catalog: |
BB008691 |
Product Name: |
1-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trichloroethanone |
CAS: |
1379670-84-4 |
Synonyms: |
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trichloroethanone; 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trichloroethanone |
IUPAC Name: | 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trichloroethanone |
Description: | 1-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trichloroethanone (CAS# 1379670-84-4) is a useful research chemical. |
Molecular Weight: | 342.40 |
Molecular Formula: | C9H4BrCl3N2O |
Canonical SMILES: | C1=C2C(=CNC2=NC=C1Br)C(=O)C(Cl)(Cl)Cl |
InChI: | InChI=1S/C9H4BrCl3N2O/c10-4-1-5-6(7(16)9(11,12)13)3-15-8(5)14-2-4/h1-3H,(H,14,15) |
InChI Key: | MOSBNBIYNUINNV-UHFFFAOYSA-N |
LogP: | 3.87830 |
Publication Number | Title | Priority Date |
WO-2020146858-A1 | Heteroaryl compounds as necrosis inhibitors, composition and method using the same | 20190111 |
EP-3268373-A1 | Tricyclic dlk inhibitors and uses thereof | 20150309 |
JP-2018512399-A | Tricyclic DLK inhibitors and uses thereof | 20150309 |
US-10131675-B2 | Tricyclic DLK inhibitors and uses thereof | 20150309 |
US-2017369510-A1 | Tricyclic dlk inhibitors and uses thereof | 20150309 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 339.85726 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 339.85726 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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