2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine

C18H16N2O2 — CID 71357016

IUPAC2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(OCc3ccccn3)cc2)nc1
InChIInChI=1S/C18H16N2O2/c1-3-11-19-15(5-1)13-21-17-7-9-18(10-8-17)22-14-16-6-2-4-12-20-16/h1-12H,13-14H2
InChIKeyQBDQXOFFHAJOBM-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.63
Rot. Bonds6

About 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine

2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine (PubChem CID 71357016) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine
PubChem CID71357016
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(OCc3ccccn3)cc2)nc1
InChIInChI=1S/C18H16N2O2/c1-3-11-19-15(5-1)13-21-17-7-9-18(10-8-17)22-14-16-6-2-4-12-20-16/h1-12H,13-14H2
InChIKeyQBDQXOFFHAJOBM-UHFFFAOYSA-N
XLogP3.63
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine (CID 71357016) is 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine is c1ccc(COc2ccc(OCc3ccccn3)cc2)nc1.
What is the InChIKey of 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine?
The InChIKey is QBDQXOFFHAJOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-11-19-15(5-1)13-21-17-7-9-18(10-8-17)22-14-16-6-2-4-12-20-16/h1-12H,13-14H2.
What are the key properties of 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine?
2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine has a molecular weight of 292.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine is sourced from PubChem (CID 71357016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).