5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid

C26H18F3NO2 — CID 21333395

IUPAC5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C26H18F3NO2/c27-26(28,29)22-14-8-7-13-21(22)25(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-16-23(24(31)32)30-17-20/h1-17H,(H,31,32)
InChIKeyJLHMJMDWHDTIDD-UHFFFAOYSA-N
MW433.43 g/mol
LogP6.18
Rot. Bonds5

About 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid

5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid (PubChem CID 21333395) has the molecular formula C26H18F3NO2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid
PubChem CID21333395
Molecular FormulaC26H18F3NO2
Molecular Weight433.43 g/mol
Exact Mass433.13
IUPAC Name5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C26H18F3NO2/c27-26(28,29)22-14-8-7-13-21(22)25(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-16-23(24(31)32)30-17-20/h1-17H,(H,31,32)
InChIKeyJLHMJMDWHDTIDD-UHFFFAOYSA-N
XLogP6.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.43
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid (CID 21333395) is 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid?
The InChIKey is JLHMJMDWHDTIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3NO2/c27-26(28,29)22-14-8-7-13-21(22)25(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-16-23(24(31)32)30-17-20/h1-17H,(H,31,32).
What are the key properties of 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid?
5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid has a molecular weight of 433.43 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 21333395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).