3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol

C13H10F3NO2 — CID 155099237

IUPAC3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)c(C(O)c2ccccn2)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)10-5-4-8(18)7-9(10)12(19)11-3-1-2-6-17-11/h1-7,12,18-19H
InChIKeyDGUURBWRTVNWCV-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.89
Rot. Bonds2

About 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol

3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol (PubChem CID 155099237) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol
PubChem CID155099237
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)c(C(O)c2ccccn2)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)10-5-4-8(18)7-9(10)12(19)11-3-1-2-6-17-11/h1-7,12,18-19H
InChIKeyDGUURBWRTVNWCV-UHFFFAOYSA-N
XLogP2.89
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol?
The IUPAC name of 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol (CID 155099237) is 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol?
The canonical SMILES for 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)c(C(O)c2ccccn2)c1.
What is the InChIKey of 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol?
The InChIKey is DGUURBWRTVNWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)10-5-4-8(18)7-9(10)12(19)11-3-1-2-6-17-11/h1-7,12,18-19H.
What are the key properties of 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol?
3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol has a molecular weight of 269.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol is sourced from PubChem (CID 155099237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).