N-hydroxy-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carboximidamide
PubChem CID: 550559
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| Compound Synonyms | Maybridge3_005175, N-hydroxy-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carboximidamide, QBQQPVCKEDSAHQ-UHFFFAOYSA-N, DTXSID601017171, HMS1445L05, IDI1_016562, 288246-53-7, Pyridine-3-carboxamide, oxime, N-(2-trifluoromethylphenyl)-, N'-Hydroxy-N-[2-(trifluoromethyl)phenyl]-3-pyridinecarboximidamide # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | ON/C=Ncccccc6CF)F)F)))))))))/ccccnc6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(NCC2CCCNC2)CC1 |
| Classyfire Subclass | Trifluoromethylbenzenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-hydroxy-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carboximidamide |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10F3N3O |
| Scaffold Graph Node Bond Level | C(=Nc1ccccc1)c1cccnc1 |
| Inchi Key | QBQQPVCKEDSAHQ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | n-(2-trifluoromethylphenyl)-pyridine-3-carboxamide, oxime, n-(2-trifluromethylphenyl)-pyridine-3-carboxamide oxime |
| Esol Class | Soluble |
| Functional Groups | CF, c/N=C(/c)NO, cnc |
| Compound Name | N-hydroxy-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carboximidamide |
| Exact Mass | 281.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.078 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 281.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H10F3N3O/c14-13(15,16)10-5-1-2-6-11(10)18-12(19-20)9-4-3-7-17-8-9/h1-8,20H,(H,18,19) |
| Smiles | C1=CC=C(C(=C1)C(F)(F)F)N=C(C2=CN=CC=C2)NO |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965