2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid

C22H18F3N3O3 — CID 175576181

About 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid

2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 175576181) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid
• PubChem CID: 175576181
• Molecular Formula: C22H18F3N3O3
• Molecular Weight: 429.40 g/mol
• Exact Mass: 429.13
• IUPAC Name: 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid
• SMILES: O=C(O)c1cc(-c2ccccc2)ncc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1
• InChI: InChI=1S/C22H18F3N3O3/c23-22(24,25)15-6-7-20(27-11-15)31-16-8-9-28(13-16)19-12-26-18(10-17(19)21(29)30)14-4-2-1-3-5-14/h1-7,10-12,16H,8-9,13H2,(H,29,30)/t16-/m1/s1
• InChIKey: DZOBXACDFUYSAY-MRXNPFEDSA-N
• XLogP: 4.52
• TPSA: 75.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.40
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid?

The IUPAC name of 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid (CID 175576181) is 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2)ncc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1.

What is the InChIKey of 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid?

The InChIKey is DZOBXACDFUYSAY-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c23-22(24,25)15-6-7-20(27-11-15)31-16-8-9-28(13-16)19-12-26-18(10-17(19)21(29)30)14-4-2-1-3-5-14/h1-7,10-12,16H,8-9,13H2,(H,29,30)/t16-/m1/s1.

What are the key properties of 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid?

2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 429.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 175576181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).