3-(6-propoxynaphthalen-2-yl)pyridine

C18H17NO — CID 11601364

IUPAC3-(6-propoxynaphthalen-2-yl)pyridine
SMILESCCCOc1ccc2cc(-c3cccnc3)ccc2c1
InChIInChI=1S/C18H17NO/c1-2-10-20-18-8-7-14-11-15(5-6-16(14)12-18)17-4-3-9-19-13-17/h3-9,11-13H,2,10H2,1H3
InChIKeyLMPWSYMOTVYTDF-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.69
Rot. Bonds4

About 3-(6-propoxynaphthalen-2-yl)pyridine

3-(6-propoxynaphthalen-2-yl)pyridine (PubChem CID 11601364) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(6-propoxynaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(6-propoxynaphthalen-2-yl)pyridine
PubChem CID11601364
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3-(6-propoxynaphthalen-2-yl)pyridine
SMILESCCCOc1ccc2cc(-c3cccnc3)ccc2c1
InChIInChI=1S/C18H17NO/c1-2-10-20-18-8-7-14-11-15(5-6-16(14)12-18)17-4-3-9-19-13-17/h3-9,11-13H,2,10H2,1H3
InChIKeyLMPWSYMOTVYTDF-UHFFFAOYSA-N
XLogP4.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(6-propoxynaphthalen-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-(6-propoxynaphthalen-2-yl)pyridine?
The IUPAC name of 3-(6-propoxynaphthalen-2-yl)pyridine (CID 11601364) is 3-(6-propoxynaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(6-propoxynaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(6-propoxynaphthalen-2-yl)pyridine is CCCOc1ccc2cc(-c3cccnc3)ccc2c1.
What is the InChIKey of 3-(6-propoxynaphthalen-2-yl)pyridine?
The InChIKey is LMPWSYMOTVYTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-10-20-18-8-7-14-11-15(5-6-16(14)12-18)17-4-3-9-19-13-17/h3-9,11-13H,2,10H2,1H3.
What are the key properties of 3-(6-propoxynaphthalen-2-yl)pyridine?
3-(6-propoxynaphthalen-2-yl)pyridine has a molecular weight of 263.34 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propoxynaphthalen-2-yl)pyridine is sourced from PubChem (CID 11601364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).