[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol

C13H10F3NO2 — CID 81237603

IUPAC[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
SMILESOCc1cnccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)10-2-1-3-11(6-10)19-12-4-5-17-7-9(12)8-18/h1-7,18H,8H2
InChIKeyIYAAZCANRBUBKD-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.38
Rot. Bonds3

About [4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol

[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol (PubChem CID 81237603) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
PubChem CID81237603
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
SMILESOCc1cnccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)10-2-1-3-11(6-10)19-12-4-5-17-7-9(12)8-18/h1-7,18H,8H2
InChIKeyIYAAZCANRBUBKD-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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Related Compounds

[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
(4-phenoxy-3-pyridinyl)methanol
CID 67434840
[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
CID 102714933
3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114287868
[4-(3,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 81237951
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 86666206
[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol
CID 81239132
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150
methyl 2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]acetate
CID 151514749
8-nitro-5-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 4795340

Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol?
The IUPAC name of [4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol (CID 81237603) is [4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol.
What is the SMILES notation for [4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol?
The canonical SMILES for [4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol is OCc1cnccc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol?
The InChIKey is IYAAZCANRBUBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)10-2-1-3-11(6-10)19-12-4-5-17-7-9(12)8-18/h1-7,18H,8H2.
What are the key properties of [4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol?
[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]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-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol is sourced from PubChem (CID 81237603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).