2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid

C18H17F3N2O3 — CID 101043165

IUPAC2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)
InChIKeyNBGRERFNOKZQLO-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.59
Rot. Bonds5

About 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid

2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid (PubChem CID 101043165) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
PubChem CID101043165
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)
InChIKeyNBGRERFNOKZQLO-UHFFFAOYSA-N
XLogP3.59
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-2-(3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid
CID 72736173
2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid
CID 2814298
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-(2,2-difluoroethyl)-5-fluoroindole-3-carboxylate
CID 118436763
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzoic acid
CID 72736167
2-[(3S)-3-[(6-chloro-3-pyridinyl)oxy]pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
CID 72736168
2-[(3S)-3-[(5-Fluoro-2-pyridinyl)methoxy]-1-pyrrolidinyl]-5-(trifluoromethyl)benzoic acid
CID 72736345
2-[(3S)-3-[(3-fluoro-2-pyridinyl)methoxy]pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
CID 72736346
2-[(3S)-3-[(5-fluoro-3-pyridinyl)methoxy]pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
CID 72736347
methyl 2-morpholino-5-(1H-pyrrol-1-yl)benzoate
CID 2741318
1-(2-Hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid
CID 118726276
[9-(2-Fluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-(2,2-difluoroethyl)-5-fluoroindole-3-carboxylate
CID 90068425
[9-(2-Fluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-carboxylate
CID 118436222

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid (CID 101043165) is 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(C(F)(F)F)ccc1N1CCC(OCc2ccccn2)C1.
What is the InChIKey of 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid?
The InChIKey is NBGRERFNOKZQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25).
What are the key properties of 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid?
2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid has a molecular weight of 366.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 101043165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).