6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate

C15H11ClFNO4 — CID 91721004

IUPAC6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cccc(C(=O)Oc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H11ClFNO4/c1-2-21-14(19)11-7-4-8-12(18-11)15(20)22-13-9(16)5-3-6-10(13)17/h3-8H,2H2,1H3
InChIKeyUGMBBZNFNHBSSA-UHFFFAOYSA-N
MW323.71 g/mol
LogP3.27
Rot. Bonds4

About 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate

6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate (PubChem CID 91721004) has the molecular formula C15H11ClFNO4 and a molecular weight of 323.71 g/mol. Its IUPAC name is 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate
PubChem CID91721004
Molecular FormulaC15H11ClFNO4
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cccc(C(=O)Oc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H11ClFNO4/c1-2-21-14(19)11-7-4-8-12(18-11)15(20)22-13-9(16)5-3-6-10(13)17/h3-8H,2H2,1H3
InChIKeyUGMBBZNFNHBSSA-UHFFFAOYSA-N
XLogP3.27
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate 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-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate?
The IUPAC name of 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate (CID 91721004) is 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate.
What is the SMILES notation for 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate?
The canonical SMILES for 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate is CCOC(=O)c1cccc(C(=O)Oc2c(F)cccc2Cl)n1.
What is the InChIKey of 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate?
The InChIKey is UGMBBZNFNHBSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO4/c1-2-21-14(19)11-7-4-8-12(18-11)15(20)22-13-9(16)5-3-6-10(13)17/h3-8H,2H2,1H3.
What are the key properties of 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate?
6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate has a molecular weight of 323.71 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-(2-chloro-6-fluorophenyl) 2-O-ethyl pyridine-2,6-dicarboxylate is sourced from PubChem (CID 91721004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).