3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

C24H21F3N2O3 — CID 153137041

IUPAC3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1CCC1CCCc2cc(Oc3cccc(C(F)(F)F)n3)ccc21
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)21-5-2-6-22(29-21)32-18-9-10-19-15(3-1-4-16(19)13-18)7-8-17-14-28-12-11-20(17)23(30)31/h2,5-6,9-15H,1,3-4,7-8H2,(H,30,31)
InChIKeyVXWOGCCUVCWDEW-UHFFFAOYSA-N
MW442.44 g/mol
LogP6.04
Rot. Bonds6

About 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 153137041) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
PubChem CID153137041
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1CCC1CCCc2cc(Oc3cccc(C(F)(F)F)n3)ccc21
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)21-5-2-6-22(29-21)32-18-9-10-19-15(3-1-4-16(19)13-18)7-8-17-14-28-12-11-20(17)23(30)31/h2,5-6,9-15H,1,3-4,7-8H2,(H,30,31)
InChIKeyVXWOGCCUVCWDEW-UHFFFAOYSA-N
XLogP6.04
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-[(1S)-5-(3-{4-[5-(trifluoromethyl)pyridin-2-yl]phenoxy}propoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110444
4-[7-Propan-2-yl-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid
CID 10254584
2-[({6-[3-(Trifluoromethyl)phenoxy]-3-pyridinyl}amino)carbonyl]benzoic acid
CID 2814191
3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoromethyl)phenoxy)butoxy)phenyl)propanoic acid
CID 11409173
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18794673
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18794679
3-(2-methyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoromethyl)phenoxy)butoxy)phenyl)propanoic acid
CID 44439633
3-[(6-Phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472
Mao-A/5-HT2AR-IN-1
CID 165413027
4-[8-[[5-Ethoxy-4-methyl-2-[6-(trifluoromethyl)pyridin-3-yl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 68092930
US11866436, Example 117
CID 164915151
(3R,4R)-1-oxo-2-propyl-3-(4-(5-(trifluoromethyl)pyridin-2-yloxy)phenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
CID 44591630

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (CID 153137041) is 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is O=C(O)c1ccncc1CCC1CCCc2cc(Oc3cccc(C(F)(F)F)n3)ccc21.
What is the InChIKey of 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The InChIKey is VXWOGCCUVCWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c25-24(26,27)21-5-2-6-22(29-21)32-18-9-10-19-15(3-1-4-16(19)13-18)7-8-17-14-28-12-11-20(17)23(30)31/h2,5-6,9-15H,1,3-4,7-8H2,(H,30,31).
What are the key properties of 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 442.44 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 153137041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).