2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine

C14H12N2O — CID 134963724

IUPAC2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine
SMILESC#CCOC(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H12N2O/c1-2-11-17-14(12-7-3-5-9-15-12)13-8-4-6-10-16-13/h1,3-10,14H,11H2
InChIKeyGMWPQXJVWPGIIH-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.22
Rot. Bonds4

About 2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine

2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine (PubChem CID 134963724) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine
PubChem CID134963724
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine
SMILESC#CCOC(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H12N2O/c1-2-11-17-14(12-7-3-5-9-15-12)13-8-4-6-10-16-13/h1,3-10,14H,11H2
InChIKeyGMWPQXJVWPGIIH-UHFFFAOYSA-N
XLogP2.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.22
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-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine?
The IUPAC name of 2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine (CID 134963724) is 2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine.
What is the SMILES notation for 2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine?
The canonical SMILES for 2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine is C#CCOC(c1ccccn1)c1ccccn1.
What is the InChIKey of 2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine?
The InChIKey is GMWPQXJVWPGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-11-17-14(12-7-3-5-9-15-12)13-8-4-6-10-16-13/h1,3-10,14H,11H2.
What are the key properties of 2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine?
2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine has a molecular weight of 224.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-ynoxy(pyridin-2-yl)methyl]pyridine is sourced from PubChem (CID 134963724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).