2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate

C15H13NO4 — CID 4032767

IUPAC2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cccc(C(=O)Oc2ccccc2)n1
InChIInChI=1S/C15H13NO4/c1-2-19-14(17)12-9-6-10-13(16-12)15(18)20-11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyDIUVUOFZAFGUHX-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.48
Rot. Bonds4

About 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate

2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate (PubChem CID 4032767) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate
PubChem CID4032767
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cccc(C(=O)Oc2ccccc2)n1
InChIInChI=1S/C15H13NO4/c1-2-19-14(17)12-9-6-10-13(16-12)15(18)20-11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyDIUVUOFZAFGUHX-UHFFFAOYSA-N
XLogP2.48
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-O-ethyl 6-O-phenyl 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 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate?
The IUPAC name of 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate (CID 4032767) is 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate?
The canonical SMILES for 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate is CCOC(=O)c1cccc(C(=O)Oc2ccccc2)n1.
What is the InChIKey of 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate?
The InChIKey is DIUVUOFZAFGUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-2-19-14(17)12-9-6-10-13(16-12)15(18)20-11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate?
2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate has a molecular weight of 271.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 6-O-phenyl pyridine-2,6-dicarboxylate is sourced from PubChem (CID 4032767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).