[2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate

C16H14F3NO4 — CID 86967729

IUPAC[2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate
SMILESCCOc1cc(C(=O)Oc2ccccc2OCC(F)(F)F)ccn1
InChIInChI=1S/C16H14F3NO4/c1-2-22-14-9-11(7-8-20-14)15(21)24-13-6-4-3-5-12(13)23-10-16(17,18)19/h3-9H,2,10H2,1H3
InChIKeyFJJHJHIBTCESGZ-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.64
Rot. Bonds6

About [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate

[2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate (PubChem CID 86967729) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate
PubChem CID86967729
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name[2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate
SMILESCCOc1cc(C(=O)Oc2ccccc2OCC(F)(F)F)ccn1
InChIInChI=1S/C16H14F3NO4/c1-2-22-14-9-11(7-8-20-14)15(21)24-13-6-4-3-5-12(13)23-10-16(17,18)19/h3-9H,2,10H2,1H3
InChIKeyFJJHJHIBTCESGZ-UHFFFAOYSA-N
XLogP3.64
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-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

Fluazifop-butyl
CID 50897
Fluazifop-p-butyl
CID 3033674
[4-[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]phenyl] pyridine-4-carboxylate
CID 2325697
Isonicotinic acid 4-hexyloxy-phenyl ester
CID 3119481
1,4-Phenylene diisonicotinate
CID 3236860
4-Methoxyphenyl pyridine-4-carboxylate
CID 3239757
(E)-3-(3,4-dimethoxyphenyl)-1-(4-pyridyl)prop-2-en-1-one
CID 82639722
Methyl 2-methoxyisonicotinate
CID 14223465
Phenyl Isonicotinate
CID 571548
1,3-Benzodioxol-5-yl pyridine-4-carboxylate
CID 2669338
(4-Heptoxyphenyl) pyridine-4-carboxylate
CID 5205672
Ethyl 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzoate
CID 4271674

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate?
The IUPAC name of [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate (CID 86967729) is [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate?
The canonical SMILES for [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate is CCOc1cc(C(=O)Oc2ccccc2OCC(F)(F)F)ccn1.
What is the InChIKey of [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate?
The InChIKey is FJJHJHIBTCESGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c1-2-22-14-9-11(7-8-20-14)15(21)24-13-6-4-3-5-12(13)23-10-16(17,18)19/h3-9H,2,10H2,1H3.
What are the key properties of [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate?
[2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate has a molecular weight of 341.29 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxy)phenyl] 2-ethoxypyridine-4-carboxylate is sourced from PubChem (CID 86967729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).