1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol

C14H14F3NO — CID 91291810

IUPAC1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol
SMILESCCc1ccc(N2C=C(C(F)(F)F)C=CC2O)cc1
InChIInChI=1S/C14H14F3NO/c1-2-10-3-6-12(7-4-10)18-9-11(14(15,16)17)5-8-13(18)19/h3-9,13,19H,2H2,1H3
InChIKeyZMENVLUUXZBJEQ-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol

1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol (PubChem CID 91291810) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol
PubChem CID91291810
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol
SMILESCCc1ccc(N2C=C(C(F)(F)F)C=CC2O)cc1
InChIInChI=1S/C14H14F3NO/c1-2-10-3-6-12(7-4-10)18-9-11(14(15,16)17)5-8-13(18)19/h3-9,13,19H,2H2,1H3
InChIKeyZMENVLUUXZBJEQ-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol?
The IUPAC name of 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol (CID 91291810) is 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol?
The canonical SMILES for 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol is CCc1ccc(N2C=C(C(F)(F)F)C=CC2O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol?
The InChIKey is ZMENVLUUXZBJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-10-3-6-12(7-4-10)18-9-11(14(15,16)17)5-8-13(18)19/h3-9,13,19H,2H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol?
1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol has a molecular weight of 269.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-(trifluoromethyl)-2H-pyridin-2-ol is sourced from PubChem (CID 91291810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).