3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine

C18H17NO2 — CID 25034346

IUPAC3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine
SMILESCCOc1cncc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C18H17NO2/c1-3-21-18-10-16(11-19-12-18)14-4-5-15-9-17(20-2)7-6-13(15)8-14/h4-12H,3H2,1-2H3
InChIKeyYYDLHEYJRYMTMO-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.31
Rot. Bonds4

About 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine

3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine (PubChem CID 25034346) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine
PubChem CID25034346
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine
SMILESCCOc1cncc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C18H17NO2/c1-3-21-18-10-16(11-19-12-18)14-4-5-15-9-17(20-2)7-6-13(15)8-14/h4-12H,3H2,1-2H3
InChIKeyYYDLHEYJRYMTMO-UHFFFAOYSA-N
XLogP4.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine?
The IUPAC name of 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine (CID 25034346) is 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine?
The canonical SMILES for 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine is CCOc1cncc(-c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine?
The InChIKey is YYDLHEYJRYMTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-21-18-10-16(11-19-12-18)14-4-5-15-9-17(20-2)7-6-13(15)8-14/h4-12H,3H2,1-2H3.
What are the key properties of 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine?
3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine has a molecular weight of 279.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine is sourced from PubChem (CID 25034346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).