3-(2-phenylethoxy)-2-pyridin-3-ylpyridine

C18H16N2O — CID 118735184

IUPAC3-(2-phenylethoxy)-2-pyridin-3-ylpyridine
SMILESc1ccc(CCOc2cccnc2-c2cccnc2)cc1
InChIInChI=1S/C18H16N2O/c1-2-6-15(7-3-1)10-13-21-17-9-5-12-20-18(17)16-8-4-11-19-14-16/h1-9,11-12,14H,10,13H2
InChIKeyOLGGYQLENPSHPL-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.77
Rot. Bonds5

About 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine

3-(2-phenylethoxy)-2-pyridin-3-ylpyridine (PubChem CID 118735184) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-(2-phenylethoxy)-2-pyridin-3-ylpyridine
PubChem CID118735184
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-(2-phenylethoxy)-2-pyridin-3-ylpyridine
SMILESc1ccc(CCOc2cccnc2-c2cccnc2)cc1
InChIInChI=1S/C18H16N2O/c1-2-6-15(7-3-1)10-13-21-17-9-5-12-20-18(17)16-8-4-11-19-14-16/h1-9,11-12,14H,10,13H2
InChIKeyOLGGYQLENPSHPL-UHFFFAOYSA-N
XLogP3.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine?
The IUPAC name of 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine (CID 118735184) is 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine.
What is the SMILES notation for 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine?
The canonical SMILES for 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine is c1ccc(CCOc2cccnc2-c2cccnc2)cc1.
What is the InChIKey of 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine?
The InChIKey is OLGGYQLENPSHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-6-15(7-3-1)10-13-21-17-9-5-12-20-18(17)16-8-4-11-19-14-16/h1-9,11-12,14H,10,13H2.
What are the key properties of 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine?
3-(2-phenylethoxy)-2-pyridin-3-ylpyridine has a molecular weight of 276.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)-2-pyridin-3-ylpyridine is sourced from PubChem (CID 118735184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).