2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine

C13H9Cl2NO — CID 11851053

IUPAC2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine
SMILESClc1ccc(C2(c3ccccc3)CO2)c(Cl)n1
InChIInChI=1S/C13H9Cl2NO/c14-11-7-6-10(12(15)16-11)13(8-17-13)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyUQJWVUVGYWPKFG-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.66
Rot. Bonds2

About 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine

2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine (PubChem CID 11851053) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine
PubChem CID11851053
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine
SMILESClc1ccc(C2(c3ccccc3)CO2)c(Cl)n1
InChIInChI=1S/C13H9Cl2NO/c14-11-7-6-10(12(15)16-11)13(8-17-13)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyUQJWVUVGYWPKFG-UHFFFAOYSA-N
XLogP3.66
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine?
The IUPAC name of 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine (CID 11851053) is 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine?
The canonical SMILES for 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine is Clc1ccc(C2(c3ccccc3)CO2)c(Cl)n1.
What is the InChIKey of 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine?
The InChIKey is UQJWVUVGYWPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-11-7-6-10(12(15)16-11)13(8-17-13)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine?
2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine has a molecular weight of 266.13 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(2-phenyloxiran-2-yl)pyridine is sourced from PubChem (CID 11851053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).