3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol

C14H13F3N2O — CID 102710209

IUPAC3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
SMILESOC(CCc1cccnc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-5-7-19-9-11(12)13(20)4-3-10-2-1-6-18-8-10/h1-2,5-9,13,20H,3-4H2
InChIKeyVLKZCXPPMYUZCP-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.16
Rot. Bonds4

About 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol

3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol (PubChem CID 102710209) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
PubChem CID102710209
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
SMILESOC(CCc1cccnc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-5-7-19-9-11(12)13(20)4-3-10-2-1-6-18-8-10/h1-2,5-9,13,20H,3-4H2
InChIKeyVLKZCXPPMYUZCP-UHFFFAOYSA-N
XLogP3.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709971
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
1-(2-fluorophenyl)-3-pyridin-3-ylpropan-1-ol
CID 105083957
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol
CID 105094895
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 103147785
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol (CID 102710209) is 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol is OC(CCc1cccnc1)c1cnccc1C(F)(F)F.
What is the InChIKey of 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol?
The InChIKey is VLKZCXPPMYUZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)12-5-7-19-9-11(12)13(20)4-3-10-2-1-6-18-8-10/h1-2,5-9,13,20H,3-4H2.
What are the key properties of 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol?
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol has a molecular weight of 282.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 102710209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).