[4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol

C13H10F3NO2 — CID 10923576

IUPAC[4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Oc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-6-9(8-18)3-4-12(11)19-10-2-1-5-17-7-10/h1-7,18H,8H2
InChIKeyQMFMNXIGISFCMU-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.38
Rot. Bonds3

About [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol

[4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol (PubChem CID 10923576) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol
PubChem CID10923576
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name[4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Oc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-6-9(8-18)3-4-12(11)19-10-2-1-5-17-7-10/h1-7,18H,8H2
InChIKeyQMFMNXIGISFCMU-UHFFFAOYSA-N
XLogP3.38
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol (CID 10923576) is [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol is OCc1ccc(Oc2cccnc2)c(C(F)(F)F)c1.
What is the InChIKey of [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is QMFMNXIGISFCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)11-6-9(8-18)3-4-12(11)19-10-2-1-5-17-7-10/h1-7,18H,8H2.
What are the key properties of [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol?
[4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 269.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-pyridin-3-yloxy-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 10923576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).