5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid

C17H14ClF3N2O3 — CID 67958118

IUPAC5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cnc1N1CCC(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H14ClF3N2O3/c18-11-7-14(16(24)25)15(22-8-11)23-5-4-13(9-23)26-12-3-1-2-10(6-12)17(19,20)21/h1-3,6-8,13H,4-5,9H2,(H,24,25)
InChIKeyYVZLUWMZTJPLJO-UHFFFAOYSA-N
MW386.76 g/mol
LogP4.11
Rot. Bonds4

About 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid

5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 67958118) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID67958118
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC Name5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cnc1N1CCC(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H14ClF3N2O3/c18-11-7-14(16(24)25)15(22-8-11)23-5-4-13(9-23)26-12-3-1-2-10(6-12)17(19,20)21/h1-3,6-8,13H,4-5,9H2,(H,24,25)
InChIKeyYVZLUWMZTJPLJO-UHFFFAOYSA-N
XLogP4.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic 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

lithium;5-chloro-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid;hydride
CID 173378749
5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
CID 133406376
methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate
CID 67958741
[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133406453
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] benzoate
CID 1483732
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl] 4-methoxybenzoate
CID 110208786
5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]-N-[1-[4-(2H-tetrazol-5-yl)phenyl]cyclopropyl]pyridine-3-carboxamide;4-[1-[[5-chloro-2-[3-(3-fluorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid
CID 88533027
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
5-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133446217
4-[(1S)-1-[[5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carbonyl]amino]ethyl]benzoic acid;4-[1-[[5-chloro-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid
CID 161144812
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 67958118) is 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cc(Cl)cnc1N1CCC(Oc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is YVZLUWMZTJPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c18-11-7-14(16(24)25)15(22-8-11)23-5-4-13(9-23)26-12-3-1-2-10(6-12)17(19,20)21/h1-3,6-8,13H,4-5,9H2,(H,24,25).
What are the key properties of 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 386.76 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67958118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).