3-(2-naphthalen-1-ylethynyl)pyridine

C17H11N — CID 18947806

IUPAC3-(2-naphthalen-1-ylethynyl)pyridine
SMILESC(#Cc1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C17H11N/c1-2-9-17-15(6-1)7-3-8-16(17)11-10-14-5-4-12-18-13-14/h1-9,12-13H
InChIKeyNIYQLPMSWPHMPR-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.63
Rot. Bonds

About 3-(2-naphthalen-1-ylethynyl)pyridine

3-(2-naphthalen-1-ylethynyl)pyridine (PubChem CID 18947806) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-naphthalen-1-ylethynyl)pyridine.

Molecular Properties

Compound Name3-(2-naphthalen-1-ylethynyl)pyridine
PubChem CID18947806
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Name3-(2-naphthalen-1-ylethynyl)pyridine
SMILESC(#Cc1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C17H11N/c1-2-9-17-15(6-1)7-3-8-16(17)11-10-14-5-4-12-18-13-14/h1-9,12-13H
InChIKeyNIYQLPMSWPHMPR-UHFFFAOYSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-1-ylethynyl)pyridine?
The IUPAC name of 3-(2-naphthalen-1-ylethynyl)pyridine (CID 18947806) is 3-(2-naphthalen-1-ylethynyl)pyridine.
What is the SMILES notation for 3-(2-naphthalen-1-ylethynyl)pyridine?
The canonical SMILES for 3-(2-naphthalen-1-ylethynyl)pyridine is C(#Cc1cccc2ccccc12)c1cccnc1.
What is the InChIKey of 3-(2-naphthalen-1-ylethynyl)pyridine?
The InChIKey is NIYQLPMSWPHMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c1-2-9-17-15(6-1)7-3-8-16(17)11-10-14-5-4-12-18-13-14/h1-9,12-13H.
What are the key properties of 3-(2-naphthalen-1-ylethynyl)pyridine?
3-(2-naphthalen-1-ylethynyl)pyridine has a molecular weight of 229.28 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-1-ylethynyl)pyridine is sourced from PubChem (CID 18947806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).