4-Amino-1-(2,2,2-trifluoroethyl)-2(1H)-pyridinone - CAS 1219089-39-0
Catalog: |
BB075624 |
Product Name: |
4-Amino-1-(2,2,2-trifluoroethyl)-2(1H)-pyridinone |
CAS: |
1219089-39-0 |
Synonyms: |
4-Amino-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one; 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one; 2(1H)-Pyridinone, 4-amino-1-(2,2,2-trifluoroethyl)- |
IUPAC Name: | 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one |
Description: | 4-Amino-1-(2,2,2-trifluoroethyl)-2(1H)-pyridinone is a useful research chemical compound used in the preparation of pyrrolidinecarboxamide derivatives as interaction inhibitors between P53 and MDM2 proteins useful in the treatment of cancers. |
Molecular Weight: | 192.1 |
Molecular Formula: | C7H7F3N2O |
Canonical SMILES: | C1=CN(C(=O)C=C1N)CC(F)(F)F |
InChI: | InChI=1S/C7H7F3N2O/c8-7(9,10)4-12-2-1-5(11)3-6(12)13/h1-3H,4,11H2 |
InChI Key: | BXVGEGBDMYNLKC-UHFFFAOYSA-N |
References: | Ding, Q., et al. PCT Int. Appl. WO 2010031713, 451, (2010). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05104734 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05104734 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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