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

C16H14F3NO2 — CID 4562751

IUPACethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C16H14F3NO2/c1-3-22-15(21)13-7-8-14(20-10(13)2)11-5-4-6-12(9-11)16(17,18)19/h4-9H,3H2,1-2H3
InChIKeyMKODAISJKYLOJI-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.25
Rot. Bonds3

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

ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 4562751) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID4562751
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Nameethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C16H14F3NO2/c1-3-22-15(21)13-7-8-14(20-10(13)2)11-5-4-6-12(9-11)16(17,18)19/h4-9H,3H2,1-2H3
InChIKeyMKODAISJKYLOJI-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

Analyze ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]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 ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 4562751) is ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is MKODAISJKYLOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-3-22-15(21)13-7-8-14(20-10(13)2)11-5-4-6-12(9-11)16(17,18)19/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 4562751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).