ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate

C15H12F3NO4 — CID 54292965

IUPACethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3NO4/c1-2-21-14(20)12-7-4-8-19-13(12)22-10-5-3-6-11(9-10)23-15(16,17)18/h3-9H,2H2,1H3
InChIKeyRYUKAICDRLUILQ-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.95
Rot. Bonds5

About ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate

ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate (PubChem CID 54292965) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
PubChem CID54292965
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Nameethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3NO4/c1-2-21-14(20)12-7-4-8-19-13(12)22-10-5-3-6-11(9-10)23-15(16,17)18/h3-9H,2H2,1H3
InChIKeyRYUKAICDRLUILQ-UHFFFAOYSA-N
XLogP3.95
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-(trifluoromethoxy)phenoxy]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

Related Compounds

ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
CID 54074518
2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 69477182
N-(2,4-difluorophenyl)-2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 19902862
ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate
CID 44764821
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate
CID 44764877
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate (CID 54292965) is ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate is CCOC(=O)c1cccnc1Oc1cccc(OC(F)(F)F)c1.
What is the InChIKey of ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate?
The InChIKey is RYUKAICDRLUILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-2-21-14(20)12-7-4-8-19-13(12)22-10-5-3-6-11(9-10)23-15(16,17)18/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate?
ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate has a molecular weight of 327.26 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 54292965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).