(E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol

C14H10F3NO — CID 177421488

IUPAC(E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol
SMILESO/C(=C/c1ccccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO/c15-14(16,17)12-7-2-1-6-11(12)13(19)9-10-5-3-4-8-18-10/h1-9,19H/b13-9+
InChIKeyGETPQSRBOBISKS-UKTHLTGXSA-N
MW265.23 g/mol
LogP4.16
Rot. Bonds2

About (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol

(E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol (PubChem CID 177421488) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol.

Molecular Properties

Compound Name(E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol
PubChem CID177421488
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name(E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol
SMILESO/C(=C/c1ccccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO/c15-14(16,17)12-7-2-1-6-11(12)13(19)9-10-5-3-4-8-18-10/h1-9,19H/b13-9+
InChIKeyGETPQSRBOBISKS-UKTHLTGXSA-N
XLogP4.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol?
The IUPAC name of (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol (CID 177421488) is (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol.
What is the SMILES notation for (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol?
The canonical SMILES for (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol is O/C(=C/c1ccccn1)c1ccccc1C(F)(F)F.
What is the InChIKey of (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol?
The InChIKey is GETPQSRBOBISKS-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)12-7-2-1-6-11(12)13(19)9-10-5-3-4-8-18-10/h1-9,19H/b13-9+.
What are the key properties of (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol?
(E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol has a molecular weight of 265.23 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol is sourced from PubChem (CID 177421488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).