3-(3-benzylnaphthalen-2-yl)pyridine

C22H17N — CID 25130517

IUPAC3-(3-benzylnaphthalen-2-yl)pyridine
SMILESc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C22H17N/c1-2-7-17(8-3-1)13-21-14-18-9-4-5-10-19(18)15-22(21)20-11-6-12-23-16-20/h1-12,14-16H,13H2
InChIKeyRPMMFOVAHREENB-UHFFFAOYSA-N
MW295.39 g/mol
LogP5.49
Rot. Bonds3

About 3-(3-benzylnaphthalen-2-yl)pyridine

3-(3-benzylnaphthalen-2-yl)pyridine (PubChem CID 25130517) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(3-benzylnaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(3-benzylnaphthalen-2-yl)pyridine
PubChem CID25130517
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC Name3-(3-benzylnaphthalen-2-yl)pyridine
SMILESc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C22H17N/c1-2-7-17(8-3-1)13-21-14-18-9-4-5-10-19(18)15-22(21)20-11-6-12-23-16-20/h1-12,14-16H,13H2
InChIKeyRPMMFOVAHREENB-UHFFFAOYSA-N
XLogP5.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-benzylnaphthalen-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylnaphthalen-2-yl)pyridine?
The IUPAC name of 3-(3-benzylnaphthalen-2-yl)pyridine (CID 25130517) is 3-(3-benzylnaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(3-benzylnaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(3-benzylnaphthalen-2-yl)pyridine is c1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1.
What is the InChIKey of 3-(3-benzylnaphthalen-2-yl)pyridine?
The InChIKey is RPMMFOVAHREENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/c1-2-7-17(8-3-1)13-21-14-18-9-4-5-10-19(18)15-22(21)20-11-6-12-23-16-20/h1-12,14-16H,13H2.
What are the key properties of 3-(3-benzylnaphthalen-2-yl)pyridine?
3-(3-benzylnaphthalen-2-yl)pyridine has a molecular weight of 295.39 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylnaphthalen-2-yl)pyridine is sourced from PubChem (CID 25130517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).