3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol

C13H10F3NO2 — CID 107680827

IUPAC3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol
SMILESCc1cc(O)cc(Oc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H10F3NO2/c1-8-5-9(18)7-10(6-8)19-12-4-2-3-11(17-12)13(14,15)16/h2-7,18H,1H3
InChIKeyUVEOCJIJKAWZCL-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.91
Rot. Bonds2

About 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol

3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol (PubChem CID 107680827) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol
PubChem CID107680827
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol
SMILESCc1cc(O)cc(Oc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H10F3NO2/c1-8-5-9(18)7-10(6-8)19-12-4-2-3-11(17-12)13(14,15)16/h2-7,18H,1H3
InChIKeyUVEOCJIJKAWZCL-UHFFFAOYSA-N
XLogP3.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane
CID 146306916
2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 63181050
[3,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 65472714
3-methyl-5-pyrimidin-2-yloxyphenol
CID 107680712
2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole
CID 158786352
3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 62109783
3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol
CID 107680810
1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 116541482
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol
CID 107680799
1-[6-(3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 55058939

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol (CID 107680827) is 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol is Cc1cc(O)cc(Oc2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The InChIKey is UVEOCJIJKAWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-8-5-9(18)7-10(6-8)19-12-4-2-3-11(17-12)13(14,15)16/h2-7,18H,1H3.
What are the key properties of 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol has a molecular weight of 269.22 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 107680827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).