[4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate

C20H16N2O4 — CID 2394574

IUPAC[4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
SMILESO=C(OCc1ccc(COC(=O)c2ccccn2)cc1)c1ccccn1
InChIInChI=1S/C20H16N2O4/c23-19(17-5-1-3-11-21-17)25-13-15-7-9-16(10-8-15)14-26-20(24)18-6-2-4-12-22-18/h1-12H,13-14H2
InChIKeyXJWSFOCWOPAKSN-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.19
Rot. Bonds6

About [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate

[4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate (PubChem CID 2394574) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name[4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
PubChem CID2394574
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name[4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
SMILESO=C(OCc1ccc(COC(=O)c2ccccn2)cc1)c1ccccn1
InChIInChI=1S/C20H16N2O4/c23-19(17-5-1-3-11-21-17)25-13-15-7-9-16(10-8-15)14-26-20(24)18-6-2-4-12-22-18/h1-12H,13-14H2
InChIKeyXJWSFOCWOPAKSN-UHFFFAOYSA-N
XLogP3.19
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate?
The IUPAC name of [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate (CID 2394574) is [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate.
What is the SMILES notation for [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate?
The canonical SMILES for [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate is O=C(OCc1ccc(COC(=O)c2ccccn2)cc1)c1ccccn1.
What is the InChIKey of [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate?
The InChIKey is XJWSFOCWOPAKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(17-5-1-3-11-21-17)25-13-15-7-9-16(10-8-15)14-26-20(24)18-6-2-4-12-22-18/h1-12H,13-14H2.
What are the key properties of [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate?
[4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate is sourced from PubChem (CID 2394574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).