3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid

C91H83F6N3O13 — CID 160806379

IUPAC3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid
SMILESCC(C)(Oc1ccc(CCc2cccc(C(=O)O)c2)cc1)c1ccc(F)cc1.CC(C)(Oc1cccc(CCc2ccc(OCc3ccc(F)cc3)cn2)c1)C(=O)O.O=C(O)c1cccc(CCc2ccc(OCc3ccc(F)cc3)cn2)c1.O=C(O)c1cncc(CCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c1
InChIInChI=1S/C24H24FNO4.C24H23FO3.C22H18F3NO3.C21H18FNO3/c1-24(2,23(27)28)30-21-5-3-4-17(14-21)8-11-20-12-13-22(15-26-20)29-16-18-6-9-19(25)10-7-18;1-24(2,20-10-12-21(25)13-11-20)28-22-14-8-17(9-15-22)6-7-18-4-3-5-19(16-18)23(26)27;23-22(24,25)19-7-3-16(4-8-19)14-29-20-9-5-15(6-10-20)1-2-17-11-18(21(27)28)13-26-12-17;22-18-7-4-16(5-8-18)14-26-20-11-10-19(23-13-20)9-6-15-2-1-3-17(12-15)21(24)25/h3-7,9-10,12-15H,8,11,16H2,1-2H3,(H,27,28);3-5,8-16H,6-7H2,1-2H3,(H,26,27);3-13H,1-2,14H2,(H,27,28);1-5,7-8,10-13H,6,9,14H2,(H,24,25)
InChIKeySDSXYUXGTLNVMY-UHFFFAOYSA-N
MW1540.66 g/mol
LogP19.90
Rot. Bonds30

About 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid

3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid (PubChem CID 160806379) has the molecular formula C91H83F6N3O13 and a molecular weight of 1540.66 g/mol. Its IUPAC name is 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid
PubChem CID160806379
Molecular FormulaC91H83F6N3O13
Molecular Weight1540.66 g/mol
Exact Mass1539.58
IUPAC Name3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid
SMILESCC(C)(Oc1ccc(CCc2cccc(C(=O)O)c2)cc1)c1ccc(F)cc1.CC(C)(Oc1cccc(CCc2ccc(OCc3ccc(F)cc3)cn2)c1)C(=O)O.O=C(O)c1cccc(CCc2ccc(OCc3ccc(F)cc3)cn2)c1.O=C(O)c1cncc(CCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c1
InChIInChI=1S/C24H24FNO4.C24H23FO3.C22H18F3NO3.C21H18FNO3/c1-24(2,23(27)28)30-21-5-3-4-17(14-21)8-11-20-12-13-22(15-26-20)29-16-18-6-9-19(25)10-7-18;1-24(2,20-10-12-21(25)13-11-20)28-22-14-8-17(9-15-22)6-7-18-4-3-5-19(16-18)23(26)27;23-22(24,25)19-7-3-16(4-8-19)14-29-20-9-5-15(6-10-20)1-2-17-11-18(21(27)28)13-26-12-17;22-18-7-4-16(5-8-18)14-26-20-11-10-19(23-13-20)9-6-15-2-1-3-17(12-15)21(24)25/h3-7,9-10,12-15H,8,11,16H2,1-2H3,(H,27,28);3-5,8-16H,6-7H2,1-2H3,(H,26,27);3-13H,1-2,14H2,(H,27,28);1-5,7-8,10-13H,6,9,14H2,(H,24,25)
InChIKeySDSXYUXGTLNVMY-UHFFFAOYSA-N
XLogP19.90
TPSA234.02 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.66
LogP ≤ 519.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-Tert-butoxy-2-[7-[(5-fluoro-2-pyridyl)methoxy]-2-methyl-4-(5-methylchroman-6-yl)-1-oxo-3-isoquinolyl]acetic acid
CID 60141667
2-Tert-butoxy-2-[4-(8-fluoro-5-methyl-chroman-6-yl)-7-[(5-fluoro-2-pyridyl)methoxy]-2-methyl-1-oxo-3-isoquinolyl]acetic acid
CID 60141668
(2S)-2-tert-butoxy-2-[4-(8-fluoro-5-methyl-chroman-6-yl)-7-(6-methoxy-3-pyridyl)-2-methyl-1-oxo-3-isoquinolyl]acetic acid
CID 60141957
(2S)-2-tert-butoxy-2-[4-(8-fluoro-5-methyl-chroman-6-yl)-2-methyl-1-oxo-7-(2-pyridylmethoxy)-3-isoquinolyl]acetic acid
CID 68295038
2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-(6-methoxy-3-pyridinyl)-2-methyl-1-oxoisoquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 72661259
2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-7-(pyridin-2-ylmethoxy)isoquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 77464513
3-[[4-[1-[3,5-Dimethyl-4-[4-(trifluoromethyl)phenyl]phenoxy]-2-methylpropyl]benzoyl]amino]propanoic acid;3-[[4-[1-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]pentyl]benzoyl]amino]propanoic acid
CID 87515794
Ethyl 4-(2-methylpropanoyl)benzoate;ethyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)benzoate;ethyl 4-[3,3,3-trifluoro-2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoate;ethyl 4-(3,3,3-trifluoro-1-hydroxy-2,2-dimethylpropyl)benzoate
CID 157698995
4-[[6-(1,1-Difluoro-2-oxopropyl)-3-pyridinyl]oxy]benzonitrile;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile;methane;molecular iodine;triiodide
CID 157716494
4-[[6-(1,1-Difluoro-2-oxopropyl)-3-pyridinyl]oxy]benzonitrile;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile;methane;molecular iodine;hydroiodide
CID 158818043
2-(3-Hydroxy-2-pyridinyl)benzo[f]chromen-1-one;2-(3-methoxy-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate;2-[3-(trifluoromethoxy)-2-pyridinyl]benzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one
CID 158997300
4-[8-[(4,4-Dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylic acid;6-[8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylic acid;4-[8-[[5-(trifluoromethoxy)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
CID 159062073

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid (CID 160806379) is 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid is CC(C)(Oc1ccc(CCc2cccc(C(=O)O)c2)cc1)c1ccc(F)cc1.CC(C)(Oc1cccc(CCc2ccc(OCc3ccc(F)cc3)cn2)c1)C(=O)O.O=C(O)c1cccc(CCc2ccc(OCc3ccc(F)cc3)cn2)c1.O=C(O)c1cncc(CCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c1.
What is the InChIKey of 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid?
The InChIKey is SDSXYUXGTLNVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO4.C24H23FO3.C22H18F3NO3.C21H18FNO3/c1-24(2,23(27)28)30-21-5-3-4-17(14-21)8-11-20-12-13-22(15-26-20)29-16-18-6-9-19(25)10-7-18;1-24(2,20-10-12-21(25)13-11-20)28-22-14-8-17(9-15-22)6-7-18-4-3-5-19(16-18)23(26)27;23-22(24,25)19-7-3-16(4-8-19)14-29-20-9-5-15(6-10-20)1-2-17-11-18(21(27)28)13-26-12-17;22-18-7-4-16(5-8-18)14-26-20-11-10-19(23-13-20)9-6-15-2-1-3-17(12-15)21(24)25/h3-7,9-10,12-15H,8,11,16H2,1-2H3,(H,27,28);3-5,8-16H,6-7H2,1-2H3,(H,26,27);3-13H,1-2,14H2,(H,27,28);1-5,7-8,10-13H,6,9,14H2,(H,24,25).
What are the key properties of 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid?
3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid has a molecular weight of 1540.66 g/mol, XLogP of 19.90, 30 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]benzoic acid;2-[3-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]phenoxy]-2-methylpropanoic acid;3-[2-[4-[2-(4-fluorophenyl)propan-2-yloxy]phenyl]ethyl]benzoic acid;5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 160806379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).