1-(6-Bromo-3-pyridyl)-2,2,2-trifluoroethanone - CAS 886364-47-2
Catalog: |
BB039042 |
Product Name: |
1-(6-Bromo-3-pyridyl)-2,2,2-trifluoroethanone |
CAS: |
886364-47-2 |
Synonyms: |
1-(6-bromo-3-pyridinyl)-2,2,2-trifluoroethanone; 1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanone |
IUPAC Name: | 1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanone |
Description: | 1-(6-Bromo-3-pyridyl)-2,2,2-trifluoroethanone (CAS# 886364-47-2) is a useful research chemical. |
Molecular Weight: | 254.00 |
Molecular Formula: | C7H3BrF3NO |
Canonical SMILES: | C1=CC(=NC=C1C(=O)C(F)(F)F)Br |
InChI: | InChI=1S/C7H3BrF3NO/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3H |
InChI Key: | ZZWPCTJVPNGEHU-UHFFFAOYSA-N |
LogP: | 2.58910 |
Publication Number | Title | Priority Date |
WO-2020240586-A1 | Novel compounds for inhibition of janus kinase 1 | 20190528 |
WO-2019177996-A1 | Bicyclic ror-gamma modulators | 20180312 |
WO-2019177997-A1 | Spirocyclic ror-gamma modulators | 20180312 |
BR-112020018718-A2 | SPIROCYCLIC ROR-GAMMA MODULATORS | 20180312 |
EP-3765009-A1 | Bicyclic ror-gamma modulators | 20180312 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.93501 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.93501 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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