3-[1-(oxiran-2-yl)ethyl]pyridine

C9H11NO — CID 22465341

IUPAC3-[1-(oxiran-2-yl)ethyl]pyridine
SMILESCC(c1cccnc1)C1CO1
InChIInChI=1S/C9H11NO/c1-7(9-6-11-9)8-3-2-4-10-5-8/h2-5,7,9H,6H2,1H3
InChIKeyLPRACFMXNIQXAC-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.58
Rot. Bonds2

About 3-[1-(oxiran-2-yl)ethyl]pyridine

3-[1-(oxiran-2-yl)ethyl]pyridine (PubChem CID 22465341) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-[1-(oxiran-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name3-[1-(oxiran-2-yl)ethyl]pyridine
PubChem CID22465341
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-[1-(oxiran-2-yl)ethyl]pyridine
SMILESCC(c1cccnc1)C1CO1
InChIInChI=1S/C9H11NO/c1-7(9-6-11-9)8-3-2-4-10-5-8/h2-5,7,9H,6H2,1H3
InChIKeyLPRACFMXNIQXAC-UHFFFAOYSA-N
XLogP1.58
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxiran-2-yl)ethyl]pyridine?
The IUPAC name of 3-[1-(oxiran-2-yl)ethyl]pyridine (CID 22465341) is 3-[1-(oxiran-2-yl)ethyl]pyridine.
What is the SMILES notation for 3-[1-(oxiran-2-yl)ethyl]pyridine?
The canonical SMILES for 3-[1-(oxiran-2-yl)ethyl]pyridine is CC(c1cccnc1)C1CO1.
What is the InChIKey of 3-[1-(oxiran-2-yl)ethyl]pyridine?
The InChIKey is LPRACFMXNIQXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7(9-6-11-9)8-3-2-4-10-5-8/h2-5,7,9H,6H2,1H3.
What are the key properties of 3-[1-(oxiran-2-yl)ethyl]pyridine?
3-[1-(oxiran-2-yl)ethyl]pyridine has a molecular weight of 149.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxiran-2-yl)ethyl]pyridine is sourced from PubChem (CID 22465341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).