6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one - CAS 22123-19-9
Catalog: |
BB017401 |
Product Name: |
6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one |
CAS: |
22123-19-9 |
Synonyms: |
6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one; 6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one |
IUPAC Name: | 6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one |
Description: | 6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one (CAS# 22123-19-9) is a useful research chemical. |
Molecular Weight: | 177.12 |
Molecular Formula: | C7H6F3NO |
Canonical SMILES: | CC1=CC(=CC(=O)N1)C(F)(F)F |
InChI: | InChI=1S/C7H6F3NO/c1-4-2-5(7(8,9)10)3-6(12)11-4/h2-3H,1H3,(H,11,12) |
InChI Key: | CDRMKCNOGIBXOG-UHFFFAOYSA-N |
Boiling Point: | 231.3 ℃ at 760 mmHg |
Density: | 1.315 g/cm3 |
MDL: | MFCD00042479 |
LogP: | 1.70210 |
Publication Number | Title | Priority Date |
US-2021053967-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
WO-2021030438-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
US-2020163953-A1 | Compounds for Inhibition of Alpha 4 Beta 7 Integrin | 20181030 |
WO-2020092401-A1 | COMPOUNDS FOR INHIBITION OF ALPHA 4β7 INTEGRIN | 20181030 |
CN-112969504-A | Compounds for inhibiting alpha 4 beta 7 integrins | 20181030 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0401483 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0401483 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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