2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

C17H17F3N2O4 — CID 143819371

IUPAC2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESCOCCN(C)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C17H17F3N2O4/c1-22(8-9-25-2)14-6-5-11(10-12(14)16(23)24)26-15-13(17(18,19)20)4-3-7-21-15/h3-7,10H,8-9H2,1-2H3,(H,23,24)
InChIKeyGLFGLJDHSARZFC-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (PubChem CID 143819371) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
PubChem CID143819371
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESCOCCN(C)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C17H17F3N2O4/c1-22(8-9-25-2)14-6-5-11(10-12(14)16(23)24)26-15-13(17(18,19)20)4-3-7-21-15/h3-7,10H,8-9H2,1-2H3,(H,23,24)
InChIKeyGLFGLJDHSARZFC-UHFFFAOYSA-N
XLogP3.67
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbaldehyde
CID 143819370
amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide
CID 59665164
2-[(5-chloropyridine-2-carbonyl)-propan-2-ylamino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 42599063
2-[(5-bromopyridine-2-carbonyl)-(3,3-dimethylbutan-2-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 42597884
3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61395439
4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61396049
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;ethane
CID 143819410
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
1-[2-[(2,4-difluorophenyl)methyl-(4-phenylbutan-2-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 123577082
2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 58115735
2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine
CID 104707642

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (CID 143819371) is 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is COCCN(C)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The InChIKey is GLFGLJDHSARZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-22(8-9-25-2)14-6-5-11(10-12(14)16(23)24)26-15-13(17(18,19)20)4-3-7-21-15/h3-7,10H,8-9H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid has a molecular weight of 370.33 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 143819371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).