2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate

C14H12N2O4 — CID 26596305

IUPAC2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate
SMILESO=C(OCCOC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C14H12N2O4/c17-13(11-1-5-15-6-2-11)19-9-10-20-14(18)12-3-7-16-8-4-12/h1-8H,9-10H2
InChIKeyNGBHSNYNHWOVBX-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.49
Rot. Bonds5

About 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate

2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate (PubChem CID 26596305) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate.

Molecular Properties

Compound Name2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate
PubChem CID26596305
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate
SMILESO=C(OCCOC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C14H12N2O4/c17-13(11-1-5-15-6-2-11)19-9-10-20-14(18)12-3-7-16-8-4-12/h1-8H,9-10H2
InChIKeyNGBHSNYNHWOVBX-UHFFFAOYSA-N
XLogP1.49
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate?
The IUPAC name of 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate (CID 26596305) is 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate.
What is the SMILES notation for 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate?
The canonical SMILES for 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate is O=C(OCCOC(=O)c1ccncc1)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate?
The InChIKey is NGBHSNYNHWOVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13(11-1-5-15-6-2-11)19-9-10-20-14(18)12-3-7-16-8-4-12/h1-8H,9-10H2.
What are the key properties of 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate?
2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate is sourced from PubChem (CID 26596305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).