5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid

C26H18F3NO2 — CID 21333376

IUPAC5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2)c2ccc(-c3ccccc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C26H18F3NO2/c27-26(28,29)22-9-5-4-8-21(22)17-10-12-19(13-11-17)24(18-6-2-1-3-7-18)20-14-15-23(25(31)32)30-16-20/h1-16,24H,(H,31,32)
InChIKeyCREFUDSJOQLTFS-UHFFFAOYSA-N
MW433.43 g/mol
LogP6.65
Rot. Bonds5

About 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid

5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid (PubChem CID 21333376) has the molecular formula C26H18F3NO2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid
PubChem CID21333376
Molecular FormulaC26H18F3NO2
Molecular Weight433.43 g/mol
Exact Mass433.13
IUPAC Name5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2)c2ccc(-c3ccccc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C26H18F3NO2/c27-26(28,29)22-9-5-4-8-21(22)17-10-12-19(13-11-17)24(18-6-2-1-3-7-18)20-14-15-23(25(31)32)30-16-20/h1-16,24H,(H,31,32)
InChIKeyCREFUDSJOQLTFS-UHFFFAOYSA-N
XLogP6.65
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 ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-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

Frequently Asked Questions

What is the IUPAC name of 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid (CID 21333376) is 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(C(c2ccccc2)c2ccc(-c3ccccc3C(F)(F)F)cc2)cn1.
What is the InChIKey of 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid?
The InChIKey is CREFUDSJOQLTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3NO2/c27-26(28,29)22-9-5-4-8-21(22)17-10-12-19(13-11-17)24(18-6-2-1-3-7-18)20-14-15-23(25(31)32)30-16-20/h1-16,24H,(H,31,32).
What are the key properties of 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid?
5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid has a molecular weight of 433.43 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[phenyl-[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 21333376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).