(E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile

C15H9F3N2O — CID 74766358

IUPAC(E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C/c1cccc(O)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-4-5-14(20-9-12)11(8-19)6-10-2-1-3-13(21)7-10/h1-7,9,21H/b11-6-
InChIKeyIVUGDWVRRSZVPP-WDZFZDKYSA-N
MW290.24 g/mol
LogP3.87
Rot. Bonds2

About (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile

(E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (PubChem CID 74766358) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
PubChem CID74766358
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name(E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C/c1cccc(O)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-4-5-14(20-9-12)11(8-19)6-10-2-1-3-13(21)7-10/h1-7,9,21H/b11-6-
InChIKeyIVUGDWVRRSZVPP-WDZFZDKYSA-N
XLogP3.87
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile 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)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The IUPAC name of (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (CID 74766358) is (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The canonical SMILES for (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is N#C/C(=C/c1cccc(O)c1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The InChIKey is IVUGDWVRRSZVPP-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)12-4-5-14(20-9-12)11(8-19)6-10-2-1-3-13(21)7-10/h1-7,9,21H/b11-6-.
What are the key properties of (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
(E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile has a molecular weight of 290.24 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is sourced from PubChem (CID 74766358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).