[6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol

C15H14F3NO2 — CID 71867088

IUPAC[6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol
SMILESCc1ccc(OCc2ccc(C(F)(F)F)cc2)c(CO)n1
InChIInChI=1S/C15H14F3NO2/c1-10-2-7-14(13(8-20)19-10)21-9-11-3-5-12(6-4-11)15(16,17)18/h2-7,20H,8-9H2,1H3
InChIKeyWXIYXHNXNNGGPG-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.48
Rot. Bonds4

About [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol

[6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol (PubChem CID 71867088) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol
PubChem CID71867088
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name[6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol
SMILESCc1ccc(OCc2ccc(C(F)(F)F)cc2)c(CO)n1
InChIInChI=1S/C15H14F3NO2/c1-10-2-7-14(13(8-20)19-10)21-9-11-3-5-12(6-4-11)15(16,17)18/h2-7,20H,8-9H2,1H3
InChIKeyWXIYXHNXNNGGPG-UHFFFAOYSA-N
XLogP3.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol?
The IUPAC name of [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol (CID 71867088) is [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol?
The canonical SMILES for [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol is Cc1ccc(OCc2ccc(C(F)(F)F)cc2)c(CO)n1.
What is the InChIKey of [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol?
The InChIKey is WXIYXHNXNNGGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-10-2-7-14(13(8-20)19-10)21-9-11-3-5-12(6-4-11)15(16,17)18/h2-7,20H,8-9H2,1H3.
What are the key properties of [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol?
[6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol has a molecular weight of 297.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 71867088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).