3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine

C21H16N2O — CID 11544136

IUPAC3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine
SMILESCOc1ccc2cc(-c3cccnc3)ccc2c1-c1cccnc1
InChIInChI=1S/C21H16N2O/c1-24-20-9-7-16-12-15(17-4-2-10-22-13-17)6-8-19(16)21(20)18-5-3-11-23-14-18/h2-14H,1H3
InChIKeyWJVGIZVLLTZNHY-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.97
Rot. Bonds3

About 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine

3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine (PubChem CID 11544136) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine
PubChem CID11544136
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine
SMILESCOc1ccc2cc(-c3cccnc3)ccc2c1-c1cccnc1
InChIInChI=1S/C21H16N2O/c1-24-20-9-7-16-12-15(17-4-2-10-22-13-17)6-8-19(16)21(20)18-5-3-11-23-14-18/h2-14H,1H3
InChIKeyWJVGIZVLLTZNHY-UHFFFAOYSA-N
XLogP4.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine?
The IUPAC name of 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine (CID 11544136) is 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine.
What is the SMILES notation for 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine?
The canonical SMILES for 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine is COc1ccc2cc(-c3cccnc3)ccc2c1-c1cccnc1.
What is the InChIKey of 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine?
The InChIKey is WJVGIZVLLTZNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-24-20-9-7-16-12-15(17-4-2-10-22-13-17)6-8-19(16)21(20)18-5-3-11-23-14-18/h2-14H,1H3.
What are the key properties of 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine?
3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine has a molecular weight of 312.37 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-6-pyridin-3-ylnaphthalen-1-yl)pyridine is sourced from PubChem (CID 11544136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).