methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

C14H10F3NO3 — CID 677485

IUPACmethyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c1-20-13(19)11-6-3-7-18-12(11)21-10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3
InChIKeyZZLJRYFTUVISBQ-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.68
Rot. Bonds3

About methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 677485) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
PubChem CID677485
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Namemethyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c1-20-13(19)11-6-3-7-18-12(11)21-10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3
InChIKeyZZLJRYFTUVISBQ-UHFFFAOYSA-N
XLogP3.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(trifluoromethyl)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

Diflufenican
CID 91735
2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
CID 215891
2-Phenoxynicotinic acid
CID 123450
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
2-[3-(Trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 11837154
6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CID 2781028
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methoxyphenyl nicotinate
CID 532682
2-(4-Chlorophenoxy)nicotinic acid
CID 609454
4-Methylphenyl pyridine-3-carboxylate
CID 735961
Phenyl 3-pyridinecarboxylate
CID 77018
3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (CID 677485) is methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is COC(=O)c1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is ZZLJRYFTUVISBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-20-13(19)11-6-3-7-18-12(11)21-10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3.
What are the key properties of methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 297.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 677485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).