ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate

C14H11F3N2O2 — CID 46317786

IUPACethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C14H11F3N2O2/c1-2-21-13(20)12-11(9-3-5-18-6-4-9)7-10(8-19-12)14(15,16)17/h3-8H,2H2,1H3
InChIKeySADNNDJOPUZQKY-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.34
Rot. Bonds3

About ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate

ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 46317786) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID46317786
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Nameethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C14H11F3N2O2/c1-2-21-13(20)12-11(9-3-5-18-6-4-9)7-10(8-19-12)14(15,16)17/h3-8H,2H2,1H3
InChIKeySADNNDJOPUZQKY-UHFFFAOYSA-N
XLogP3.34
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-pyridin-4-yl-5-(trifluoromethyl)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 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate (CID 46317786) is ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1ncc(C(F)(F)F)cc1-c1ccncc1.
What is the InChIKey of ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is SADNNDJOPUZQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-2-21-13(20)12-11(9-3-5-18-6-4-9)7-10(8-19-12)14(15,16)17/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 296.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyridin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 46317786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).