[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol

C13H9F4NO2 — CID 105383241

IUPAC[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol
SMILESOCc1ccnc(Oc2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C13H9F4NO2/c14-11-8(7-19)5-6-18-12(11)20-10-4-2-1-3-9(10)13(15,16)17/h1-6,19H,7H2
InChIKeyDAWVBKDJHXPMLH-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.52
Rot. Bonds3

About [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol

[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol (PubChem CID 105383241) has the molecular formula C13H9F4NO2 and a molecular weight of 287.21 g/mol. Its IUPAC name is [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol
PubChem CID105383241
Molecular FormulaC13H9F4NO2
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol
SMILESOCc1ccnc(Oc2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C13H9F4NO2/c14-11-8(7-19)5-6-18-12(11)20-10-4-2-1-3-9(10)13(15,16)17/h1-6,19H,7H2
InChIKeyDAWVBKDJHXPMLH-UHFFFAOYSA-N
XLogP3.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
2-(Benzyloxy)pyridine
CID 295859
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
[4-(2-Phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
CID 23723241
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-iodo-3-pyridinyl]ethenyl]phenol
CID 16221509
(2-Phenoxypyridin-4-yl)methanamine
CID 16785630
4-Hydroxymethyl-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23636024
3-(Phenoxymethyl)pyridine
CID 12474431
B-[2-(Phenylmethoxy)-3-pyridinyl]boronic acid
CID 44755161
(6-(Benzyloxy)pyridin-3-yl)methanol
CID 59255139

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol (CID 105383241) is [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol is OCc1ccnc(Oc2ccccc2C(F)(F)F)c1F.
What is the InChIKey of [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol?
The InChIKey is DAWVBKDJHXPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2/c14-11-8(7-19)5-6-18-12(11)20-10-4-2-1-3-9(10)13(15,16)17/h1-6,19H,7H2.
What are the key properties of [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol?
[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol has a molecular weight of 287.21 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol is sourced from PubChem (CID 105383241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).