3-Bromo-1-methyl-5-(trifluoromethyl)pyridin-2(1H)-one - CAS 1215205-35-8
Catalog: |
BB005195 |
Product Name: |
3-Bromo-1-methyl-5-(trifluoromethyl)pyridin-2(1H)-one |
CAS: |
1215205-35-8 |
Synonyms: |
3-bromo-1-methyl-5-(trifluoromethyl)-2-pyridinone; 3-bromo-1-methyl-5-(trifluoromethyl)pyridin-2-one |
IUPAC Name: | 3-bromo-1-methyl-5-(trifluoromethyl)pyridin-2-one |
Description: | 3-Bromo-1-methyl-5-(trifluoromethyl)pyridin-2(1H)-one (CAS# 1215205-35-8) is a useful research chemical. |
Molecular Weight: | 256.02 |
Molecular Formula: | C7H5BrF3NO |
Canonical SMILES: | CN1C=C(C=C(C1=O)Br)C(F)(F)F |
InChI: | InChI=1S/C7H5BrF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3 |
InChI Key: | FTCGYBIUAXXLHH-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.16660 |
Publication Number | Title | Priority Date |
US-2020155538-A1 | Quinoline derivatives | 20181030 |
US-2020163953-A1 | Compounds for Inhibition of Alpha 4 Beta 7 Integrin | 20181030 |
WO-2020092375-A1 | Quinoline derivatives as alpha4beta7 integrin inhibitors | 20181030 |
WO-2020092401-A1 | COMPOUNDS FOR INHIBITION OF ALPHA 4β7 INTEGRIN | 20181030 |
TW-202033492-A | Quinoline derivatives | 20181030 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.95066 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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