6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid

C18H17F3N2O3 — CID 162653317

IUPAC6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-1-2-6-15(13)26-11-12-8-9-23(10-12)16-7-3-5-14(22-16)17(24)25/h1-7,12H,8-11H2,(H,24,25)
InChIKeyLQFSDDUNGAOWKF-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.70
Rot. Bonds5

About 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid

6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 162653317) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID162653317
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-1-2-6-15(13)26-11-12-8-9-23(10-12)16-7-3-5-14(22-16)17(24)25/h1-7,12H,8-11H2,(H,24,25)
InChIKeyLQFSDDUNGAOWKF-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-Tert-butylphenoxy)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162647548
6-Methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 162647737
6-methyl-2-[(3R)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 162649660
2-[3-[[3-Chloro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162653652
2-[3-[[4-Fluoro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162653710
6-methyl-2-[(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 162653905
6-Methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid
CID 162654467
6-Methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]azetidin-1-yl]pyrimidine-4-carboxylic acid
CID 162657583
6-Methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 162658767
2-[3-[(2-Cyclopentylphenoxy)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162659477
2-[3-[[5-Fluoro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162659611
4-Methyl-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 162659936

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 162653317) is 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is LQFSDDUNGAOWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-1-2-6-15(13)26-11-12-8-9-23(10-12)16-7-3-5-14(22-16)17(24)25/h1-7,12H,8-11H2,(H,24,25).
What are the key properties of 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 366.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 162653317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).