methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate

C20H14F3NO2 — CID 91926588

IUPACmethyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)cc(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C20H14F3NO2/c1-26-19(25)17-15(13-8-4-2-5-9-13)12-16(20(21,22)23)24-18(17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyIUHKAGNDUUYLGZ-UHFFFAOYSA-N
MW357.33 g/mol
LogP5.22
Rot. Bonds3

About methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 91926588) has the molecular formula C20H14F3NO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID91926588
Molecular FormulaC20H14F3NO2
Molecular Weight357.33 g/mol
Exact Mass357.10
IUPAC Namemethyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)cc(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C20H14F3NO2/c1-26-19(25)17-15(13-8-4-2-5-9-13)12-16(20(21,22)23)24-18(17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyIUHKAGNDUUYLGZ-UHFFFAOYSA-N
XLogP5.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.33
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate 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 methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 91926588) is methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(-c2ccccc2)cc(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is IUHKAGNDUUYLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO2/c1-26-19(25)17-15(13-8-4-2-5-9-13)12-16(20(21,22)23)24-18(17)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 357.33 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-diphenyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 91926588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).