ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate

C16H14F3NO2 — CID 777575

IUPACethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)nc1C
InChIInChI=1S/C16H14F3NO2/c1-3-22-15(21)14-10(2)20-13(9-12(14)16(17,18)19)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyCKSVEVGOCMROCA-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.25
Rot. Bonds3

About ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 777575) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID777575
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Nameethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)nc1C
InChIInChI=1S/C16H14F3NO2/c1-3-22-15(21)14-10(2)20-13(9-12(14)16(17,18)19)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyCKSVEVGOCMROCA-UHFFFAOYSA-N
XLogP4.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate (CID 777575) is ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is CKSVEVGOCMROCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-3-22-15(21)14-10(2)20-13(9-12(14)16(17,18)19)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 309.29 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 777575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).