4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid

C11H7F6NO5 — CID 56606193

IUPAC4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid
SMILESCCOc1c(C(=O)O)c(C(F)(F)F)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C11H7F6NO5/c1-2-23-5-3(8(19)20)6(10(12,13)14)18-7(11(15,16)17)4(5)9(21)22/h2H2,1H3,(H,19,20)(H,21,22)
InChIKeyPUYUALIFEOHNPD-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.91
Rot. Bonds4

About 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid

4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid (PubChem CID 56606193) has the molecular formula C11H7F6NO5 and a molecular weight of 347.17 g/mol. Its IUPAC name is 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid
PubChem CID56606193
Molecular FormulaC11H7F6NO5
Molecular Weight347.17 g/mol
Exact Mass347.02
IUPAC Name4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid
SMILESCCOc1c(C(=O)O)c(C(F)(F)F)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C11H7F6NO5/c1-2-23-5-3(8(19)20)6(10(12,13)14)18-7(11(15,16)17)4(5)9(21)22/h2H2,1H3,(H,19,20)(H,21,22)
InChIKeyPUYUALIFEOHNPD-UHFFFAOYSA-N
XLogP2.91
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid 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 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid (CID 56606193) is 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid is CCOc1c(C(=O)O)c(C(F)(F)F)nc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
The InChIKey is PUYUALIFEOHNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6NO5/c1-2-23-5-3(8(19)20)6(10(12,13)14)18-7(11(15,16)17)4(5)9(21)22/h2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid has a molecular weight of 347.17 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 56606193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).