2-chloro-5-(oxiran-2-ylmethoxy)pyridine

C8H8ClNO2 — CID 87132450

IUPAC2-chloro-5-(oxiran-2-ylmethoxy)pyridine
SMILESClc1ccc(OCC2CO2)cn1
InChIInChI=1S/C8H8ClNO2/c9-8-2-1-6(3-10-8)11-4-7-5-12-7/h1-3,7H,4-5H2
InChIKeyGERUONSHXFEOCV-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.51
Rot. Bonds3

About 2-chloro-5-(oxiran-2-ylmethoxy)pyridine

2-chloro-5-(oxiran-2-ylmethoxy)pyridine (PubChem CID 87132450) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-chloro-5-(oxiran-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-(oxiran-2-ylmethoxy)pyridine
PubChem CID87132450
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-chloro-5-(oxiran-2-ylmethoxy)pyridine
SMILESClc1ccc(OCC2CO2)cn1
InChIInChI=1S/C8H8ClNO2/c9-8-2-1-6(3-10-8)11-4-7-5-12-7/h1-3,7H,4-5H2
InChIKeyGERUONSHXFEOCV-UHFFFAOYSA-N
XLogP1.51
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(oxiran-2-ylmethoxy)pyridine?
The IUPAC name of 2-chloro-5-(oxiran-2-ylmethoxy)pyridine (CID 87132450) is 2-chloro-5-(oxiran-2-ylmethoxy)pyridine.
What is the SMILES notation for 2-chloro-5-(oxiran-2-ylmethoxy)pyridine?
The canonical SMILES for 2-chloro-5-(oxiran-2-ylmethoxy)pyridine is Clc1ccc(OCC2CO2)cn1.
What is the InChIKey of 2-chloro-5-(oxiran-2-ylmethoxy)pyridine?
The InChIKey is GERUONSHXFEOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-8-2-1-6(3-10-8)11-4-7-5-12-7/h1-3,7H,4-5H2.
What are the key properties of 2-chloro-5-(oxiran-2-ylmethoxy)pyridine?
2-chloro-5-(oxiran-2-ylmethoxy)pyridine has a molecular weight of 185.61 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(oxiran-2-ylmethoxy)pyridine is sourced from PubChem (CID 87132450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).