2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine

C15H13NO2 — CID 11299421

IUPAC2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine
SMILESCOc1cccc(OCC#Cc2ccccn2)c1
InChIInChI=1S/C15H13NO2/c1-17-14-8-4-9-15(12-14)18-11-5-7-13-6-2-3-10-16-13/h2-4,6,8-10,12H,11H2,1H3
InChIKeyNUGIZDIFZXSZAH-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.52
Rot. Bonds3

About 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine

2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine (PubChem CID 11299421) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine.

Molecular Properties

Compound Name2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine
PubChem CID11299421
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine
SMILESCOc1cccc(OCC#Cc2ccccn2)c1
InChIInChI=1S/C15H13NO2/c1-17-14-8-4-9-15(12-14)18-11-5-7-13-6-2-3-10-16-13/h2-4,6,8-10,12H,11H2,1H3
InChIKeyNUGIZDIFZXSZAH-UHFFFAOYSA-N
XLogP2.52
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine?
The IUPAC name of 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine (CID 11299421) is 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine.
What is the SMILES notation for 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine?
The canonical SMILES for 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine is COc1cccc(OCC#Cc2ccccn2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine?
The InChIKey is NUGIZDIFZXSZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-17-14-8-4-9-15(12-14)18-11-5-7-13-6-2-3-10-16-13/h2-4,6,8-10,12H,11H2,1H3.
What are the key properties of 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine?
2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine has a molecular weight of 239.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenoxy)prop-1-ynyl]pyridine is sourced from PubChem (CID 11299421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).