ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate

C16H13ClF3NO3 — CID 155154218

IUPACethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C16H13ClF3NO3/c1-2-23-15(22)13-5-3-4-11(21-13)9-24-14-7-6-10(8-12(14)17)16(18,19)20/h3-8H,2,9H2,1H3
InChIKeyOCKNGQJZRNUEAO-UHFFFAOYSA-N
MW359.73 g/mol
LogP4.51
Rot. Bonds5

About ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate

ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate (PubChem CID 155154218) has the molecular formula C16H13ClF3NO3 and a molecular weight of 359.73 g/mol. Its IUPAC name is ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate
PubChem CID155154218
Molecular FormulaC16H13ClF3NO3
Molecular Weight359.73 g/mol
Exact Mass359.05
IUPAC Nameethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C16H13ClF3NO3/c1-2-23-15(22)13-5-3-4-11(21-13)9-24-14-7-6-10(8-12(14)17)16(18,19)20/h3-8H,2,9H2,1H3
InChIKeyOCKNGQJZRNUEAO-UHFFFAOYSA-N
XLogP4.51
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.73
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-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 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate (CID 155154218) is ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate?
The InChIKey is OCKNGQJZRNUEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO3/c1-2-23-15(22)13-5-3-4-11(21-13)9-24-14-7-6-10(8-12(14)17)16(18,19)20/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate?
ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate has a molecular weight of 359.73 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 155154218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).