ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate

C16H11F6NO3 — CID 86597787

IUPACethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H11F6NO3/c1-2-25-14(24)11-7-8-12(23-13(11)15(17,18)19)9-3-5-10(6-4-9)26-16(20,21)22/h3-8H,2H2,1H3
InChIKeyUCDCFYHCCPRJLS-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.84
Rot. Bonds4

About ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 86597787) has the molecular formula C16H11F6NO3 and a molecular weight of 379.26 g/mol. Its IUPAC name is ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID86597787
Molecular FormulaC16H11F6NO3
Molecular Weight379.26 g/mol
Exact Mass379.06
IUPAC Nameethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H11F6NO3/c1-2-25-14(24)11-7-8-12(23-13(11)15(17,18)19)9-3-5-10(6-4-9)26-16(20,21)22/h3-8H,2H2,1H3
InChIKeyUCDCFYHCCPRJLS-UHFFFAOYSA-N
XLogP4.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)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 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate (CID 86597787) is ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1C(F)(F)F.
What is the InChIKey of ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is UCDCFYHCCPRJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO3/c1-2-25-14(24)11-7-8-12(23-13(11)15(17,18)19)9-3-5-10(6-4-9)26-16(20,21)22/h3-8H,2H2,1H3.
What are the key properties of ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 379.26 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 86597787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).