3-(ethenoxymethyl)pyridine

C8H9NO — CID 12572329

IUPAC3-(ethenoxymethyl)pyridine
SMILESC=COCc1cccnc1
InChIInChI=1S/C8H9NO/c1-2-10-7-8-4-3-5-9-6-8/h2-6H,1,7H2
InChIKeyLUCSCCGUALNFHE-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.74
Rot. Bonds3

About 3-(ethenoxymethyl)pyridine

3-(ethenoxymethyl)pyridine (PubChem CID 12572329) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-(ethenoxymethyl)pyridine.

Molecular Properties

Compound Name3-(ethenoxymethyl)pyridine
PubChem CID12572329
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-(ethenoxymethyl)pyridine
SMILESC=COCc1cccnc1
InChIInChI=1S/C8H9NO/c1-2-10-7-8-4-3-5-9-6-8/h2-6H,1,7H2
InChIKeyLUCSCCGUALNFHE-UHFFFAOYSA-N
XLogP1.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)pyridine?
The IUPAC name of 3-(ethenoxymethyl)pyridine (CID 12572329) is 3-(ethenoxymethyl)pyridine.
What is the SMILES notation for 3-(ethenoxymethyl)pyridine?
The canonical SMILES for 3-(ethenoxymethyl)pyridine is C=COCc1cccnc1.
What is the InChIKey of 3-(ethenoxymethyl)pyridine?
The InChIKey is LUCSCCGUALNFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-10-7-8-4-3-5-9-6-8/h2-6H,1,7H2.
What are the key properties of 3-(ethenoxymethyl)pyridine?
3-(ethenoxymethyl)pyridine has a molecular weight of 135.17 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)pyridine is sourced from PubChem (CID 12572329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).