[6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate

C14H8F6N2O2 — CID 91810174

IUPAC[6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
SMILESO=C(OCc1ccc(C(F)(F)F)nc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H8F6N2O2/c15-13(16,17)10-3-1-8(5-21-10)7-24-12(23)9-2-4-11(22-6-9)14(18,19)20/h1-6H,7H2
InChIKeyMYLWMORPEARBOC-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.87
Rot. Bonds3

About [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate

[6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 91810174) has the molecular formula C14H8F6N2O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name[6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID91810174
Molecular FormulaC14H8F6N2O2
Molecular Weight350.22 g/mol
Exact Mass350.05
IUPAC Name[6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
SMILESO=C(OCc1ccc(C(F)(F)F)nc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H8F6N2O2/c15-13(16,17)10-3-1-8(5-21-10)7-24-12(23)9-2-4-11(22-6-9)14(18,19)20/h1-6H,7H2
InChIKeyMYLWMORPEARBOC-UHFFFAOYSA-N
XLogP3.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(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 [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate (CID 91810174) is [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate is O=C(OCc1ccc(C(F)(F)F)nc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is MYLWMORPEARBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N2O2/c15-13(16,17)10-3-1-8(5-21-10)7-24-12(23)9-2-4-11(22-6-9)14(18,19)20/h1-6H,7H2.
What are the key properties of [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate?
[6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 350.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-3-pyridinyl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 91810174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).