(E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

C9H7F3N2O2 — CID 118726033

IUPAC(E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)nc1)NO
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)7-3-1-6(5-13-7)2-4-8(15)14-16/h1-5,16H,(H,14,15)/b4-2+
InChIKeyLTDMJPUVPNQWPM-DUXPYHPUSA-N
MW232.16 g/mol
LogP1.62
Rot. Bonds2

About (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 118726033) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
PubChem CID118726033
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name(E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)nc1)NO
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)7-3-1-6(5-13-7)2-4-8(15)14-16/h1-5,16H,(H,14,15)/b4-2+
InChIKeyLTDMJPUVPNQWPM-DUXPYHPUSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (CID 118726033) is (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1ccc(C(F)(F)F)nc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is LTDMJPUVPNQWPM-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c10-9(11,12)7-3-1-6(5-13-7)2-4-8(15)14-16/h1-5,16H,(H,14,15)/b4-2+.
What are the key properties of (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 232.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 118726033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).