2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol

C15H14F3NO2 — CID 117241260

IUPAC2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
SMILESOCC(COc1ccccc1C(F)(F)F)c1cccnc1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)13-5-1-2-6-14(13)21-10-12(9-20)11-4-3-7-19-8-11/h1-8,12,20H,9-10H2
InChIKeyNITUMZLQPBKSLV-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.26
Rot. Bonds5

About 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol

2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol (PubChem CID 117241260) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
PubChem CID117241260
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
SMILESOCC(COc1ccccc1C(F)(F)F)c1cccnc1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)13-5-1-2-6-14(13)21-10-12(9-20)11-4-3-7-19-8-11/h1-8,12,20H,9-10H2
InChIKeyNITUMZLQPBKSLV-UHFFFAOYSA-N
XLogP3.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-2-pyridin-3-ylpropoxy)phenol
CID 117241268
3-methoxy-2-pyridin-3-ylpropan-1-ol
CID 117241293
3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
CID 117241285
1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117246453
3-(2-methoxyphenoxy)-2-pyridin-3-ylpropan-1-amine
CID 112516632
pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 70393208
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117245002
2-(2-bromophenoxy)-1-pyridin-3-ylethanol
CID 117241209
2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117243147
3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 80522600
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol?
The IUPAC name of 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol (CID 117241260) is 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol?
The canonical SMILES for 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol is OCC(COc1ccccc1C(F)(F)F)c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol?
The InChIKey is NITUMZLQPBKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)13-5-1-2-6-14(13)21-10-12(9-20)11-4-3-7-19-8-11/h1-8,12,20H,9-10H2.
What are the key properties of 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol?
2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol has a molecular weight of 297.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 117241260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).