2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol

C14H12F3NO2 — CID 104735698

IUPAC2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cccnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)20-12-5-3-11(4-6-12)13(19)8-10-2-1-7-18-9-10/h1-7,9,13,19H,8H2
InChIKeyWOTHMHYXMRSYGO-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.26
Rot. Bonds4

About 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol

2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 104735698) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID104735698
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cccnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)20-12-5-3-11(4-6-12)13(19)8-10-2-1-7-18-9-10/h1-7,9,13,19H,8H2
InChIKeyWOTHMHYXMRSYGO-UHFFFAOYSA-N
XLogP3.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
1-(4-iodophenyl)-2-pyridin-3-ylethanol
CID 115832159
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
(1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 124588606
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol
CID 104736200
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol (CID 104735698) is 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol is OC(Cc1cccnc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is WOTHMHYXMRSYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)20-12-5-3-11(4-6-12)13(19)8-10-2-1-7-18-9-10/h1-7,9,13,19H,8H2.
What are the key properties of 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol?
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 283.25 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 104735698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).