2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol

C21H19F3N2O2 — CID 118443728

IUPAC2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol
SMILESCC(C)C(O)(c1cccnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C21H19F3N2O2/c1-14(2)20(27,16-4-3-11-25-12-16)19-10-9-18(13-26-19)28-17-7-5-15(6-8-17)21(22,23)24/h3-14,27H,1-2H3
InChIKeyTZFIKKZKCCQFCY-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.18
Rot. Bonds5

About 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol

2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol (PubChem CID 118443728) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol
PubChem CID118443728
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol
SMILESCC(C)C(O)(c1cccnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C21H19F3N2O2/c1-14(2)20(27,16-4-3-11-25-12-16)19-10-9-18(13-26-19)28-17-7-5-15(6-8-17)21(22,23)24/h3-14,27H,1-2H3
InChIKeyTZFIKKZKCCQFCY-UHFFFAOYSA-N
XLogP5.18
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(6-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443683
(E)-1-amino-2-methanimidoyl-4-methyl-3-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]pent-1-en-3-ol
CID 118463913
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
lithium;3-(trifluoromethyl)pyridine;hydroxide
CID 175395480
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carbothioamide
CID 115488880
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
CID 117241340
2-methyl-3-pyridin-3-ylpentan-3-ol
CID 60924070
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol?
The IUPAC name of 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol (CID 118443728) is 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol is CC(C)C(O)(c1cccnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol?
The InChIKey is TZFIKKZKCCQFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-14(2)20(27,16-4-3-11-25-12-16)19-10-9-18(13-26-19)28-17-7-5-15(6-8-17)21(22,23)24/h3-14,27H,1-2H3.
What are the key properties of 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol?
2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol has a molecular weight of 388.39 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyridin-3-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 118443728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).