3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine

C23H19NO — CID 25129117

IUPAC3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3cccnc3)c(Cc3ccccc3)cc2c1
InChIInChI=1S/C23H19NO/c1-25-22-10-9-18-15-23(19-8-5-11-24-16-19)21(13-20(18)14-22)12-17-6-3-2-4-7-17/h2-11,13-16H,12H2,1H3
InChIKeyOXCXOWFIXPOTGG-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.50
Rot. Bonds4

About 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine

3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine (PubChem CID 25129117) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine
PubChem CID25129117
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3cccnc3)c(Cc3ccccc3)cc2c1
InChIInChI=1S/C23H19NO/c1-25-22-10-9-18-15-23(19-8-5-11-24-16-19)21(13-20(18)14-22)12-17-6-3-2-4-7-17/h2-11,13-16H,12H2,1H3
InChIKeyOXCXOWFIXPOTGG-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine?
The IUPAC name of 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine (CID 25129117) is 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine is COc1ccc2cc(-c3cccnc3)c(Cc3ccccc3)cc2c1.
What is the InChIKey of 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine?
The InChIKey is OXCXOWFIXPOTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-25-22-10-9-18-15-23(19-8-5-11-24-16-19)21(13-20(18)14-22)12-17-6-3-2-4-7-17/h2-11,13-16H,12H2,1H3.
What are the key properties of 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine?
3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine has a molecular weight of 325.41 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-6-methoxynaphthalen-2-yl)pyridine is sourced from PubChem (CID 25129117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).