2,6-diphenoxypyridine

C17H13NO2 — CID 824772

IUPAC2,6-diphenoxypyridine
SMILESc1ccc(Oc2cccc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C17H13NO2/c1-3-8-14(9-4-1)19-16-12-7-13-17(18-16)20-15-10-5-2-6-11-15/h1-13H
InChIKeyHNMMGGMSQSKUMF-UHFFFAOYSA-N
MW263.30 g/mol
LogP4.67
Rot. Bonds4

About 2,6-diphenoxypyridine

2,6-diphenoxypyridine (PubChem CID 824772) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2,6-diphenoxypyridine.

Molecular Properties

Compound Name2,6-diphenoxypyridine
PubChem CID824772
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2,6-diphenoxypyridine
SMILESc1ccc(Oc2cccc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C17H13NO2/c1-3-8-14(9-4-1)19-16-12-7-13-17(18-16)20-15-10-5-2-6-11-15/h1-13H
InChIKeyHNMMGGMSQSKUMF-UHFFFAOYSA-N
XLogP4.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenoxypyridine?
The IUPAC name of 2,6-diphenoxypyridine (CID 824772) is 2,6-diphenoxypyridine.
What is the SMILES notation for 2,6-diphenoxypyridine?
The canonical SMILES for 2,6-diphenoxypyridine is c1ccc(Oc2cccc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 2,6-diphenoxypyridine?
The InChIKey is HNMMGGMSQSKUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-3-8-14(9-4-1)19-16-12-7-13-17(18-16)20-15-10-5-2-6-11-15/h1-13H.
What are the key properties of 2,6-diphenoxypyridine?
2,6-diphenoxypyridine has a molecular weight of 263.30 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenoxypyridine is sourced from PubChem (CID 824772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).