2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine

C18H16N2O — CID 134817809

IUPAC2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
SMILESCc1ccc(-c2ncccc2OCc2ccccn2)cc1
InChIInChI=1S/C18H16N2O/c1-14-7-9-15(10-8-14)18-17(6-4-12-20-18)21-13-16-5-2-3-11-19-16/h2-12H,13H2,1H3
InChIKeyGEICNUUKZLWKET-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine

2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine (PubChem CID 134817809) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
PubChem CID134817809
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
SMILESCc1ccc(-c2ncccc2OCc2ccccn2)cc1
InChIInChI=1S/C18H16N2O/c1-14-7-9-15(10-8-14)18-17(6-4-12-20-18)21-13-16-5-2-3-11-19-16/h2-12H,13H2,1H3
InChIKeyGEICNUUKZLWKET-UHFFFAOYSA-N
XLogP4.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine?
The IUPAC name of 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine (CID 134817809) is 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine.
What is the SMILES notation for 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine?
The canonical SMILES for 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine is Cc1ccc(-c2ncccc2OCc2ccccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine?
The InChIKey is GEICNUUKZLWKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14-7-9-15(10-8-14)18-17(6-4-12-20-18)21-13-16-5-2-3-11-19-16/h2-12H,13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine?
2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine has a molecular weight of 276.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine is sourced from PubChem (CID 134817809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).